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- From: mailoliver@163.com
- To: forum@abinit.org
- Subject: Re:Re: [abinit-forum] GW calculation
- Date: Wed, 7 May 2008 17:26:30 +0800 (CST)
Dear Matteo Giantomassi:
My input and log file is in the attachment. Could you help me to find the errors?
Thank you!
Tieyu Lu
在2008-05-05，"Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be> 写道：
Dear Tieyu Lu, Could you attach the input and log file of the calculation? There are several values in your results that look quite strange. First of all the matrix elements of v_xc and sig_x for bands 11-12 are zero! Also the values of some derivatives with respect to omega are suspicious. How many bands are you using (nbands) and which version of abinit BTW: Do you know, by change, if bands 10 and 11 are degenerate due to space group symmetries or if it's just an accidental degeneracy? Thanks, Matteo Giantomassi > Dear all: > > I try to calculate the quasiparticle band structure of BaTe by GW method. > I try > to output the eigenvalues of all the occupied and some unoccupied states. > But > the GW eigenvalues is disordered at some kpoints. For example: > ************************************************************************** > k = 0.000 -0.500 0.000 > Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E > 1 -14.248 -11.092 -17.036 6.414 5.527 0.819 -8.494 2.599 -11.649 > 2 -7.869 -8.686 -11.792 3.219 0.707 -0.415 -8.606 0.080 -7.788 > 3 -5.074 -9.601 -11.421 2.381 0.771 -0.296 -9.168 0.433 -4.641 > 4 -5.074 -9.601 -11.421 2.387 0.772 -0.296 -9.163 0.438 -4.636 > 5 -2.693 -5.567 -1.034 -3.028 0.779 -0.284 -4.395 1.172 -1.521 > 6 0.033 -7.189 -3.251 -1.571 0.830 -0.205 -5.225 1.964 1.997 > 7 0.875 -6.928 -2.767 -2.379 0.763 -0.311 -5.569 1.360 2.234 > 8 1.199 -6.064 -1.072 -2.702 0.767 -0.304 -4.308 1.756 2.955 > 9 1.246 -6.658 -1.912 -2.546 0.752 -0.329 -5.003 1.655 2.902 > 10 1.911 -7.434 -2.497 -2.356 0.767 -0.303 -5.453 1.981 3.892 > 11 1.911 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.324 > 12 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475 > 13 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475 > 14 3.087 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.500 > 15 3.181 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.595 > 16 4.261 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.675 > ******************************************************************************** > We can find that the 10th eigenvalue of GW is larger than 11th and 12th > ones. > This is right? > > Tieyu Lu >
网上订比萨天天有奖
Attachment:
bate.in
Description: Binary data
synchronization done...-P-0005 leave_test : synchronization done...-P-0002
leave_test : synchronization done...-P-0004 leave_test : synchronization
done...-P-0006 leave_test : synchronization done...-P-0007 leave_test :
synchronization done...
ABINIT
Give name for formatted input file:
bate.in
Give name for formatted output file:
bate.out
Give root name for generic input files:
testi
Give root name for generic output files:
testo
Give root name for generic temporary files:
test
-P-0000 leave_test : synchronization done...
.Version 5.4.4 of ABINIT
.(MPI version, prepared for a i686_linux_pgi computer)
.Copyright (C) 1998-2007 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see
~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .
.Starting date : Tue 6 May 2008.
- input file -> bate.in
- output file -> bate.out
- root for input files -> testi
- root for output files -> testo
instrng : 112 lines of input have been read
iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type 1 , psp file is
/people/gong/lty/work/abinit/pps/56-Ba.LDA.fhi
read the values zionpsp= 2.0 , pspcod= 6 , lmax= 3
iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type 2 , psp file is ./Te_POT.DAT
read the values zionpsp= 6.0 , pspcod= 6 , lmax= 2
iofn2 : deduce mpsang = 4, n1xccc =2501.
-P-0000 leave_test : synchronization done...
invars1m : enter jdtset= 1
ingeo : takes atomic coordinates from input array xred
symspgr : the symmetry operation no. 1 is the identity
symspgr : the symmetry operation no. 2 is an inversion
symaxes : the symmetry operation no. 3 is a 2-axis
symplanes : the symmetry operation no. 4 is a mirror plane
symaxes : the symmetry operation no. 5 is a 2-axis
symplanes : the symmetry operation no. 6 is a mirror plane
symaxes : the symmetry operation no. 7 is a 2-axis
symplanes : the symmetry operation no. 8 is a mirror plane
symplanes : the symmetry operation no. 9 is a mirror plane
symaxes : the symmetry operation no. 10 is a tertiary 2-axis
symspgr : the symmetry operation no. 11 is a -4 axis
symaxes : the symmetry operation no. 12 is a 4-axis
symplanes : the symmetry operation no. 13 is a mirror plane
symaxes : the symmetry operation no. 14 is a tertiary 2-axis
symspgr : the symmetry operation no. 15 is a -4 axis
symaxes : the symmetry operation no. 16 is a 4-axis
symaxes : the symmetry operation no. 17 is a 3-axis
symspgr : the symmetry operation no. 18 is a -3 axis
symaxes : the symmetry operation no. 19 is a 3-axis
symspgr : the symmetry operation no. 20 is a -3 axis
symaxes : the symmetry operation no. 21 is a 3-axis
symspgr : the symmetry operation no. 22 is a -3 axis
symaxes : the symmetry operation no. 23 is a 3-axis
symspgr : the symmetry operation no. 24 is a -3 axis
symplanes : the symmetry operation no. 25 is a mirror plane
symaxes : the symmetry operation no. 26 is a tertiary 2-axis
symspgr : the symmetry operation no. 27 is a -4 axis
symaxes : the symmetry operation no. 28 is a 4-axis
symspgr : the symmetry operation no. 29 is a -4 axis
symaxes : the symmetry operation no. 30 is a 4-axis
symplanes : the symmetry operation no. 31 is a mirror plane
symaxes : the symmetry operation no. 32 is a tertiary 2-axis
symaxes : the symmetry operation no. 33 is a 3-axis
symspgr : the symmetry operation no. 34 is a -3 axis
symaxes : the symmetry operation no. 35 is a 3-axis
symspgr : the symmetry operation no. 36 is a -3 axis
symaxes : the symmetry operation no. 37 is a 3-axis
symspgr : the symmetry operation no. 38 is a -3 axis
symaxes : the symmetry operation no. 39 is a 3-axis
symspgr : the symmetry operation no. 40 is a -3 axis
symplanes : the symmetry operation no. 41 is a mirror plane
symaxes : the symmetry operation no. 42 is a tertiary 2-axis
symplanes : the symmetry operation no. 43 is a mirror plane
symaxes : the symmetry operation no. 44 is a tertiary 2-axis
symspgr : the symmetry operation no. 45 is a -4 axis
symaxes : the symmetry operation no. 46 is a 4-axis
symspgr : the symmetry operation no. 47 is a -4 axis
symaxes : the symmetry operation no. 48 is a 4-axis
symspgr : spgroup= 221 Pm -3 m (=Oh^1)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: WARNING -
nkpt*nsppol is not a multiple of nproc
The k-point parallelisation is not efficient.
distrb2: exit
invars1: mkmem undefined in the input file. Use default mkmem = nkpt
invars1: With nkpt_me= 3 and mkmem = 20, ground state wf handled in
core.
Resetting mkmem to nkpt_me to save memory space.
invars1: mkqmem undefined in the input file. Use default mkqmem = nkpt
invars1: With nkpt_me= 3 and mkqmem = 20, ground state wf handled in
core.
Resetting mkqmem to nkpt_me to save memory space.
invars1: mk1mem undefined in the input file. Use default mk1mem = nkpt
invars1: With nkpt_me= 3 and mk1mem = 20, ground state wf handled in
core.
Resetting mk1mem to nkpt_me to save memory space.
invars1m : enter jdtset= 2
ingeo : takes atomic coordinates from input array xred
symspgr : the symmetry operation no. 1 is the identity
symspgr : the symmetry operation no. 2 is an inversion
symaxes : the symmetry operation no. 3 is a 2-axis
symplanes : the symmetry operation no. 4 is a mirror plane
symaxes : the symmetry operation no. 5 is a 2-axis
symplanes : the symmetry operation no. 6 is a mirror plane
symaxes : the symmetry operation no. 7 is a 2-axis
symplanes : the symmetry operation no. 8 is a mirror plane
symplanes : the symmetry operation no. 9 is a mirror plane
symaxes : the symmetry operation no. 10 is a tertiary 2-axis
symspgr : the symmetry operation no. 11 is a -4 axis
symaxes : the symmetry operation no. 12 is a 4-axis
symplanes : the symmetry operation no. 13 is a mirror plane
symaxes : the symmetry operation no. 14 is a tertiary 2-axis
symspgr : the symmetry operation no. 15 is a -4 axis
symaxes : the symmetry operation no. 16 is a 4-axis
symaxes : the symmetry operation no. 17 is a 3-axis
symspgr : the symmetry operation no. 18 is a -3 axis
symaxes : the symmetry operation no. 19 is a 3-axis
symspgr : the symmetry operation no. 20 is a -3 axis
symaxes : the symmetry operation no. 21 is a 3-axis
symspgr : the symmetry operation no. 22 is a -3 axis
symaxes : the symmetry operation no. 23 is a 3-axis
symspgr : the symmetry operation no. 24 is a -3 axis
symplanes : the symmetry operation no. 25 is a mirror plane
symaxes : the symmetry operation no. 26 is a tertiary 2-axis
symspgr : the symmetry operation no. 27 is a -4 axis
symaxes : the symmetry operation no. 28 is a 4-axis
symspgr : the symmetry operation no. 29 is a -4 axis
symaxes : the symmetry operation no. 30 is a 4-axis
symplanes : the symmetry operation no. 31 is a mirror plane
symaxes : the symmetry operation no. 32 is a tertiary 2-axis
symaxes : the symmetry operation no. 33 is a 3-axis
symspgr : the symmetry operation no. 34 is a -3 axis
symaxes : the symmetry operation no. 35 is a 3-axis
symspgr : the symmetry operation no. 36 is a -3 axis
symaxes : the symmetry operation no. 37 is a 3-axis
symspgr : the symmetry operation no. 38 is a -3 axis
symaxes : the symmetry operation no. 39 is a 3-axis
symspgr : the symmetry operation no. 40 is a -3 axis
symplanes : the symmetry operation no. 41 is a mirror plane
symaxes : the symmetry operation no. 42 is a tertiary 2-axis
symplanes : the symmetry operation no. 43 is a mirror plane
symaxes : the symmetry operation no. 44 is a tertiary 2-axis
symspgr : the symmetry operation no. 45 is a -4 axis
symaxes : the symmetry operation no. 46 is a 4-axis
symspgr : the symmetry operation no. 47 is a -4 axis
symaxes : the symmetry operation no. 48 is a 4-axis
symspgr : spgroup= 221 Pm -3 m (=Oh^1)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: WARNING -
nkpt*nsppol is not a multiple of nproc
The k-point parallelisation is not efficient.
distrb2: exit
invars1: mkmem undefined in the input file. Use default mkmem = nkpt
invars1: With nkpt_me= 2 and mkmem = 10, ground state wf handled in
core.
Resetting mkmem to nkpt_me to save memory space.
invars1: mkqmem undefined in the input file. Use default mkqmem = nkpt
invars1: With nkpt_me= 2 and mkqmem = 10, ground state wf handled in
core.
Resetting mkqmem to nkpt_me to save memory space.
invars1: mk1mem undefined in the input file. Use default mk1mem = nkpt
invars1: With nkpt_me= 2 and mk1mem = 10, ground state wf handled in
core.
Resetting mk1mem to nkpt_me to save memory space.
invars1m : enter jdtset= 3
ingeo : takes atomic coordinates from input array xred
symspgr : the symmetry operation no. 1 is the identity
symspgr : the symmetry operation no. 2 is an inversion
symaxes : the symmetry operation no. 3 is a 2-axis
symplanes : the symmetry operation no. 4 is a mirror plane
symaxes : the symmetry operation no. 5 is a 2-axis
symplanes : the symmetry operation no. 6 is a mirror plane
symaxes : the symmetry operation no. 7 is a 2-axis
symplanes : the symmetry operation no. 8 is a mirror plane
symplanes : the symmetry operation no. 9 is a mirror plane
symaxes : the symmetry operation no. 10 is a tertiary 2-axis
symspgr : the symmetry operation no. 11 is a -4 axis
symaxes : the symmetry operation no. 12 is a 4-axis
symplanes : the symmetry operation no. 13 is a mirror plane
symaxes : the symmetry operation no. 14 is a tertiary 2-axis
symspgr : the symmetry operation no. 15 is a -4 axis
symaxes : the symmetry operation no. 16 is a 4-axis
symaxes : the symmetry operation no. 17 is a 3-axis
symspgr : the symmetry operation no. 18 is a -3 axis
symaxes : the symmetry operation no. 19 is a 3-axis
symspgr : the symmetry operation no. 20 is a -3 axis
symaxes : the symmetry operation no. 21 is a 3-axis
symspgr : the symmetry operation no. 22 is a -3 axis
symaxes : the symmetry operation no. 23 is a 3-axis
symspgr : the symmetry operation no. 24 is a -3 axis
symplanes : the symmetry operation no. 25 is a mirror plane
symaxes : the symmetry operation no. 26 is a tertiary 2-axis
symspgr : the symmetry operation no. 27 is a -4 axis
symaxes : the symmetry operation no. 28 is a 4-axis
symspgr : the symmetry operation no. 29 is a -4 axis
symaxes : the symmetry operation no. 30 is a 4-axis
symplanes : the symmetry operation no. 31 is a mirror plane
symaxes : the symmetry operation no. 32 is a tertiary 2-axis
symaxes : the symmetry operation no. 33 is a 3-axis
symspgr : the symmetry operation no. 34 is a -3 axis
symaxes : the symmetry operation no. 35 is a 3-axis
symspgr : the symmetry operation no. 36 is a -3 axis
symaxes : the symmetry operation no. 37 is a 3-axis
symspgr : the symmetry operation no. 38 is a -3 axis
symaxes : the symmetry operation no. 39 is a 3-axis
symspgr : the symmetry operation no. 40 is a -3 axis
symplanes : the symmetry operation no. 41 is a mirror plane
symaxes : the symmetry operation no. 42 is a tertiary 2-axis
symplanes : the symmetry operation no. 43 is a mirror plane
symaxes : the symmetry operation no. 44 is a tertiary 2-axis
symspgr : the symmetry operation no. 45 is a -4 axis
symaxes : the symmetry operation no. 46 is a 4-axis
symspgr : the symmetry operation no. 47 is a -4 axis
symaxes : the symmetry operation no. 48 is a 4-axis
symspgr : spgroup= 221 Pm -3 m (=Oh^1)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: WARNING -
nkpt*nsppol is not a multiple of nproc
The k-point parallelisation is not efficient.
distrb2: exit
invars1: mkmem undefined in the input file. Use default mkmem = nkpt
invars1: With nkpt_me= 2 and mkmem = 10, ground state wf handled in
core.
Resetting mkmem to nkpt_me to save memory space.
invars1: mkqmem undefined in the input file. Use default mkqmem = nkpt
invars1: With nkpt_me= 2 and mkqmem = 10, ground state wf handled in
core.
Resetting mkqmem to nkpt_me to save memory space.
invars1: mk1mem undefined in the input file. Use default mk1mem = nkpt
invars1: With nkpt_me= 2 and mk1mem = 10, ground state wf handled in
core.
Resetting mk1mem to nkpt_me to save memory space.
DATASET 1 : space group Pm -3 m (#221); Bravais cP (primitive cubic)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
inkpts : istwfk preprocessed, gives following first values (max. 6): 1 1 1 1
1 1
chkneu : initialized the occupation numbers for occopt= 1
spin-unpolarized case :
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00
For input ecut= 3.000000E+01 best grid ngfft= 40 40 40
max ecut= 3.229952E+01
getng: value of mgfft= 40 and nfft= 64000
getng: values of ngfft(4),ngfft(5),ngfft(6) 41 41 40
getmpw: optimal value of mpw= 3840
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
memory : analysis of memory needs
================================================================================
Values of the parameters that define the memory need for DATASET 1.
intxc = 0 ionmov = 0 iscf = 5 xclevel =
1
lmnmax = 4 lnmax = 4 mband = 30 mffmem =
1
P mgfft = 40 mkmem = 3 mpssoang= 4 mpw =
3840
mqgrid = 3001 natom = 2 nfft = 64000 nkpt =
20
nloalg = 4 nspden = 1 nspinor = 1 nsppol =
1
nsym = 48 n1xccc = 2501 ntypat = 2 occopt =
1
================================================================================
P This job should need less than 22.786 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
WF disk file : 35.158 Mbytes ; DEN or POT disk file : 0.490 Mbytes.
================================================================================
Biggest array : cg(disk), with 5.2754 MBytes.
-P-0000 leave_test : synchronization done...
memana : allocated an array of 5.275 Mbytes, for testing purposes.
memana : allocated 22.786 Mbytes, for testing purposes.
The job will continue.
DATASET 2 : space group Pm -3 m (#221); Bravais cP (primitive cubic)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
inkpts : istwfk preprocessed, gives following first values (max. 6): 1 1 1 1
1 1
chkneu : initialized the occupation numbers for occopt= 1
spin-unpolarized case :
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
For input ecut= 3.000000E+01 best grid ngfft= 40 40 40
max ecut= 3.229952E+01
getng: value of mgfft= 40 and nfft= 64000
getng: values of ngfft(4),ngfft(5),ngfft(6) 41 41 40
getmpw: optimal value of mpw= 3791
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
memory : analysis of memory needs
================================================================================
Values of the parameters that define the memory need for DATASET 2.
intxc = 0 ionmov = 0 iscf = 5 xclevel =
1
lmnmax = 4 lnmax = 4 mband = 200 mffmem =
1
P mgfft = 40 mkmem = 2 mpssoang= 4 mpw =
3791
mqgrid = 3001 natom = 2 nfft = 64000 nkpt =
10
nloalg = 4 nspden = 1 nspinor = 1 nsppol =
1
nsym = 48 n1xccc = 2501 ntypat = 2 occopt =
1
================================================================================
P This job should need less than 41.723 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
WF disk file : 115.694 Mbytes ; DEN or POT disk file : 0.490 Mbytes.
================================================================================
Biggest array : cg(disk), with 23.1404 MBytes.
-P-0000 leave_test : synchronization done...
memana : allocated an array of 23.140 Mbytes, for testing purposes.
memana : allocated 41.723 Mbytes, for testing purposes.
The job will continue.
DATASET 3 : space group Pm -3 m (#221); Bravais cP (primitive cubic)
getkgrid : length of smallest supercell vector (bohr)= 4.690489E+01
Simple Lattice Grid
symkpt : found identity, with number 1
inkpts : istwfk preprocessed, gives following first values (max. 6): 1 1 1 1
1 1
chkneu : initialized the occupation numbers for occopt= 1
spin-unpolarized case :
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
For input ecut= 3.000000E+01 best grid ngfft= 40 40 40
max ecut= 3.229952E+01
getng: value of mgfft= 40 and nfft= 64000
getng: values of ngfft(4),ngfft(5),ngfft(6) 41 41 40
getmpw: optimal value of mpw= 3791
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
memory : analysis of memory needs
================================================================================
Values of the parameters that define the memory need for DATASET 3.
intxc = 0 ionmov = 0 iscf = 5 xclevel =
1
lmnmax = 4 lnmax = 4 mband = 200 mffmem =
1
P mgfft = 40 mkmem = 2 mpssoang= 4 mpw =
3791
mqgrid = 3001 natom = 2 nfft = 64000 nkpt =
10
nloalg = 4 nspden = 1 nspinor = 1 nsppol =
1
nsym = 48 n1xccc = 2501 ntypat = 2 occopt =
1
================================================================================
P This job should need less than 41.723 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
WF disk file : 115.694 Mbytes ; DEN or POT disk file : 0.490 Mbytes.
================================================================================
Biggest array : cg(disk), with 23.1404 MBytes.
-P-0000 leave_test : synchronization done...
memana : allocated an array of 23.140 Mbytes, for testing purposes.
memana : allocated 41.723 Mbytes, for testing purposes.
The job will continue.
-outvars: echo values of preprocessed input variables --------
acell 7.8174815480E+00 7.8174815480E+00 7.8174815480E+00 Bohr
amu 1.37327000E+02 1.27600000E+02
bdgw3 1 16 1 16 1 16 1 16 1 16
1 16 1 16 1 16 1 16 1 16
1 16 1 16 1 16 1 16
diemac 1.20000000E+01
ecut 3.00000000E+01 Hartree
ecuteps1 0.00000000E+00 Hartree
ecuteps2 1.00000000E+01 Hartree
ecuteps3 0.00000000E+00 Hartree
ecutsigx1 0.00000000E+00 Hartree
ecutsigx2 0.00000000E+00 Hartree
ecutsigx3 1.00000000E+01 Hartree
ecutwfn1 0.00000000E+00 Hartree
ecutwfn2 1.00000000E+01 Hartree
ecutwfn3 1.00000000E+01 Hartree
getscr1 0
getscr2 0
getscr3 -1
getkss1 0
getkss2 -1
getkss3 -2
iscf 5
istwfk1 1 0 0 1 0 0 0 0 0 1
0 0 0 0 0 0 0 0 0 1
ixc 7
jdtset 1 2 3
kpt1 0.00000000E+00 0.00000000E+00 0.00000000E+00
1.66666667E-01 0.00000000E+00 0.00000000E+00
3.33333333E-01 0.00000000E+00 0.00000000E+00
5.00000000E-01 0.00000000E+00 0.00000000E+00
1.66666667E-01 1.66666667E-01 0.00000000E+00
3.33333333E-01 1.66666667E-01 0.00000000E+00
5.00000000E-01 1.66666667E-01 0.00000000E+00
3.33333333E-01 3.33333333E-01 0.00000000E+00
5.00000000E-01 3.33333333E-01 0.00000000E+00
5.00000000E-01 5.00000000E-01 0.00000000E+00
1.66666667E-01 1.66666667E-01 1.66666667E-01
3.33333333E-01 1.66666667E-01 1.66666667E-01
5.00000000E-01 1.66666667E-01 1.66666667E-01
3.33333333E-01 3.33333333E-01 1.66666667E-01
5.00000000E-01 3.33333333E-01 1.66666667E-01
5.00000000E-01 5.00000000E-01 1.66666667E-01
3.33333333E-01 3.33333333E-01 3.33333333E-01
5.00000000E-01 3.33333333E-01 3.33333333E-01
5.00000000E-01 5.00000000E-01 3.33333333E-01
5.00000000E-01 5.00000000E-01 5.00000000E-01
kpt2 8.33333333E-02 8.33333333E-02 8.33333333E-02
2.50000000E-01 8.33333333E-02 8.33333333E-02
4.16666667E-01 8.33333333E-02 8.33333333E-02
2.50000000E-01 2.50000000E-01 8.33333333E-02
4.16666667E-01 2.50000000E-01 8.33333333E-02
4.16666667E-01 4.16666667E-01 8.33333333E-02
2.50000000E-01 2.50000000E-01 2.50000000E-01
4.16666667E-01 2.50000000E-01 2.50000000E-01
4.16666667E-01 4.16666667E-01 2.50000000E-01
4.16666667E-01 4.16666667E-01 4.16666667E-01
kpt3 8.33333333E-02 8.33333333E-02 8.33333333E-02
2.50000000E-01 8.33333333E-02 8.33333333E-02
4.16666667E-01 8.33333333E-02 8.33333333E-02
2.50000000E-01 2.50000000E-01 8.33333333E-02
4.16666667E-01 2.50000000E-01 8.33333333E-02
4.16666667E-01 4.16666667E-01 8.33333333E-02
2.50000000E-01 2.50000000E-01 2.50000000E-01
4.16666667E-01 2.50000000E-01 2.50000000E-01
4.16666667E-01 4.16666667E-01 2.50000000E-01
4.16666667E-01 4.16666667E-01 4.16666667E-01
kptgw3 0.00000000E+00 0.00000000E+00 0.00000000E+00
1.66667000E-01 1.66667000E-01 0.00000000E+00
3.33333000E-01 3.33333000E-01 0.00000000E+00
5.00000000E-01 5.00000000E-01 0.00000000E+00
3.33333000E-01 -5.00000000E-01 0.00000000E+00
1.66667000E-01 -5.00000000E-01 0.00000000E+00
0.00000000E+00 -5.00000000E-01 0.00000000E+00
0.00000000E+00 3.33333000E-01 0.00000000E+00
0.00000000E+00 1.66667000E-01 0.00000000E+00
1.66667000E-01 1.66667000E-01 1.66667000E-01
3.33333000E-01 3.33333000E-01 3.33333000E-01
5.00000000E-01 5.00000000E-01 5.00000000E-01
5.00000000E-01 5.00000000E-01 3.33333000E-01
5.00000000E-01 5.00000000E-01 1.66667000E-01
kptrlen 4.69048893E+01
kptopt 1
kptrlatt 6 0 0 0 6 0 0 0 6
P mkmem1 3
P mkmem2 2
P mkmem3 2
natom 2
nband1 30
nband2 200
nband3 200
ndtset 3
ngfft 40 40 40
nkptgw1 0
nkptgw2 0
nkptgw3 14
nkpt1 20
nkpt2 10
nkpt3 10
nstep 5000
nsym 48
ntypat 2
occ1 2.000000 2.000000 2.000000 2.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
occ2 2.000000 2.000000 2.000000 2.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000
occ3 2.000000 2.000000 2.000000 2.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000
optdriver1 0
optdriver2 3
optdriver3 4
ppmfrq1 0.00000000E+00 Hartree
ppmfrq2 6.13713720E-01 Hartree
ppmfrq3 0.00000000E+00 Hartree
shiftk1 0.00000000E+00 0.00000000E+00 0.00000000E+00
shiftk2 5.00000000E-01 5.00000000E-01 5.00000000E-01
shiftk3 5.00000000E-01 5.00000000E-01 5.00000000E-01
spgroup 221
symmorphi 0
symrel 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 -1
-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 1
-1 0 0 0 -1 0 0 0 1 1 0 0 0 1 0 0 0 -1
1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0 0 1
0 1 0 1 0 0 0 0 1 0 -1 0 -1 0 0 0 0 -1
0 -1 0 1 0 0 0 0 -1 0 1 0 -1 0 0 0 0 1
0 -1 0 -1 0 0 0 0 1 0 1 0 1 0 0 0 0 -1
0 1 0 -1 0 0 0 0 -1 0 -1 0 1 0 0 0 0 1
0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0 -1 0
0 0 -1 1 0 0 0 -1 0 0 0 1 -1 0 0 0 1 0
0 0 -1 -1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0
0 0 1 -1 0 0 0 -1 0 0 0 -1 1 0 0 0 1 0
1 0 0 0 0 1 0 1 0 -1 0 0 0 0 -1 0 -1 0
-1 0 0 0 0 1 0 -1 0 1 0 0 0 0 -1 0 1 0
-1 0 0 0 0 -1 0 1 0 1 0 0 0 0 1 0 -1 0
1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 1 0 1 0
0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 -1 0 0
0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 -1 1 0 0
0 -1 0 0 0 -1 1 0 0 0 1 0 0 0 1 -1 0 0
0 1 0 0 0 -1 -1 0 0 0 -1 0 0 0 1 1 0 0
0 0 1 0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0
0 0 -1 0 1 0 -1 0 0 0 0 1 0 -1 0 1 0 0
0 0 -1 0 -1 0 1 0 0 0 0 1 0 1 0 -1 0 0
0 0 1 0 -1 0 -1 0 0 0 0 -1 0 1 0 1 0 0
toldfe1 1.00000000E-06 Hartree
toldfe2 0.00000000E+00 Hartree
toldfe3 0.00000000E+00 Hartree
tolwfr1 0.00000000E+00
tolwfr2 1.00000000E-16
tolwfr3 1.00000000E-16
typat 1 2
wtk1 0.00463 0.02778 0.02778 0.01389 0.05556 0.11111
0.05556 0.05556 0.05556 0.01389 0.03704 0.11111
0.05556 0.11111 0.11111 0.02778 0.03704 0.05556
0.02778 0.00463
wtk2 0.03704 0.11111 0.11111 0.11111 0.22222 0.11111
0.03704 0.11111 0.11111 0.03704
wtk3 0.03704 0.11111 0.11111 0.11111 0.22222 0.11111
0.03704 0.11111 0.11111 0.03704
xangst 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2.0684165405E+00 2.0684165405E+00 2.0684165405E+00
xcart 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
3.9087407740E+00 3.9087407740E+00 3.9087407740E+00
xred 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
5.0000000000E-01 5.0000000000E-01 5.0000000000E-01
znucl 56.00000 52.00000
================================================================================
-P-0000 leave_test : synchronization done...
chkinp: machine precision is 2.2204460492503131E-16
chkinp: Checking input parameters for consistency, jdtset= 1.
chkinp: Checking input parameters for consistency, jdtset= 2.
chkinp: Checking input parameters for consistency, jdtset= 3.
-P-0000
-P-0000
================================================================================
-P-0000 == DATASET 1
==================================================================
-P-0000
dtsetcopy : copying area algalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area bdgw the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area kberry the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area nband the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : allocated densty= T
dtsetcopy : copying area kptgw the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area occ_orig the actual size ( ) of the index
( ) differs from its standard size (X )
dtsetcopy : copying area shiftk the actual size ( ) of the index
( ) differs from its standard size ( )
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: WARNING -
nkpt*nsppol is not a multiple of nproc
The k-point parallelisation is not efficient.
distrb2: exit
Unit cell volume ucvol= 4.7774989E+02 bohr^3
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
getcut: wavevector= 0.0000 0.0000 0.0000 ngfft= 40 40 40
ecut(hartree)= 30.000 => boxcut(ratio)= 2.07524
-P-0000 leave_test : synchronization done...
kpgio: loop on k-points done in parallel
- pspatm: opening atomic psp file
/people/gong/lty/work/abinit/pps/56-Ba.LDA.fhi
barium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder Perdew/Wang
(1992), l= 0 local
56.00000 2.00000 11001 znucl, zion, pspdat
6 7 3 0 553 0.00000
pspcod,pspxc,lmax,lloc,mmax,r2well
8.36000000000000 1.00000000000000 0.00000000000000
rchrg,fchrg,qchrg
1.024700 amesh (Hamman grid)
pspatm: epsatm= 104.42952062
--- l ekb(1:nproj) -->
1 0.208052
2 -1.459896
3 -3.702704
pspatm: atomic psp has been read and splines computed
- pspatm: opening atomic psp file ./Te_POT.DAT
tellurium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder Perdew/Wang
(1992), l= 0 local
52.00000 6.00000 11001 znucl, zion, pspdat
6 7 2 0 549 0.00000
pspcod,pspxc,lmax,lloc,mmax,r2well
0.00000000000000 0.00000000000000 0.00000000000000
rchrg,fchrg,qchrg
1.024700 amesh (Hamman grid)
pspatm: epsatm= 42.28952431
--- l ekb(1:nproj) -->
1 0.385404
2 0.760946
pspatm: atomic psp has been read and splines computed
1.17375236E+03 ecore*ucvol(ha*bohr**3)
-P-0000 wfconv: 30 bands initialized randomly with npw= 3743, for ikpt=
1
-P-0000 wfconv: 30 bands initialized randomly with npw= 3779, for ikpt=
2
-P-0000 wfconv: 30 bands initialized randomly with npw= 3755, for ikpt=
3
-P-0000 leave_test : synchronization done...
newkpt: loop on k-points done in parallel
pareigocc : MPI_ALLREDUCE
setup2: Arith. and geom. avg. npw (full set) are 3749.588 3749.570
symatm: atom number 1 is reached starting at atom
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
symatm: atom number 2 is reached starting at atom
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
initro : for itypat= 1, take decay length= 2.0000,
initro : indeed, coreel= 54.0000, nval= 2 and densty= 0.0000E+00.
initro : for itypat= 2, take decay length= 1.1000,
initro : indeed, coreel= 46.0000, nval= 6 and densty= 0.0000E+00.
================================================================================
iter Etot(hartree) deltaE(h) residm vres2 diffor maxfor
getcut: wavevector= 0.0000 0.0000 0.0000 ngfft= 40 40 40
ecut(hartree)= 30.000 => boxcut(ratio)= 2.07524
ewald : nr and ng are 2 and 15
setvtr : computed rhohxc
ITER STEP NUMBER 1
vtorho : nnsclo_now= 2, note that nnsclo,dbl_nnsclo,istep= 0 0 1
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 1.2078E-04 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 8.2940E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 1 -9.6974427027270 -9.697E+00 4.959E-02 1.435E+02 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.0897855E-01 hartree
scfcge:
scfcge:istep-iline_cge-ilinmin lambda etot resid
scfcge: actual 1-0-0 0.0000E+00 -9.697442702727E+00 3.3714E+01
ITER STEP NUMBER 2
vtorho : nnsclo_now= 2, note that nnsclo,dbl_nnsclo,istep= 0 0 2
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 4.9785E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.8746E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 2 -9.7271901665047 -2.975E-02 6.194E-03 4.698E+00 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1113469E-01 hartree
findmin : lambda_predict 1.0862E+00 etotal_predict -9.7272729669E+00
scfcge: actual 2-0-1 1.0000E+00 -9.727190166505E+00 1.4747E+00
scfcge: predict 1.0862E+00 suff. close => next line, ilinear= 0
scfcge:
scfcge: start 2-1-0 0.0000E+00 -9.727190166505E+00 1.4747E+00
ITER STEP NUMBER 3
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 3
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 5.2721E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.9057E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 3 -9.7274943554892 -3.042E-04 5.942E-04 5.849E-01 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1112098E-01 hartree
nlinear, ilinear 0 0
compute new search direction
scfcge: actual 3-1-off 1.0000E+00 -9.727494355489E+00 1.5790E-01, end=2
ITER STEP NUMBER 4
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 4
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 5.4082E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.9115E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 4 -9.7275319018537 -3.755E-05 2.543E-04 3.261E-02 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1114409E-01 hartree
findmin : lambda_predict 1.3926E+00 etotal_predict -9.7275319073E+00
scfcge: actual 4-1-1 1.3871E+00 -9.727531901854E+00 1.1718E-02
scfcge: predict 1.3926E+00 suff. close => next line, ilinear= 1
scfcge:
scfcge: start 4-2-0 0.0000E+00 -9.727531901854E+00 1.1718E-02
ITER STEP NUMBER 5
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 5
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 5.4337E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.8973E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 5 -9.7275354326711 -3.531E-06 7.314E-05 2.102E-03 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1118342E-01 hartree
nlinear, ilinear 1 1
compute new search direction
energy CG update : after 2D interpolation,
computation in the next plane
scfcge: actual 5-2-off 1.1777E+00 -9.727535432671E+00 6.7275E-04, end=4
scfcge:
ITER STEP NUMBER 6
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 6
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 5.4296E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.9012E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 6 -9.7275358131917 -3.805E-07 5.821E-05 9.880E-05 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1116854E-01 hartree
nlinear, ilinear 1 0
compute new search direction
scfcge: actual 6-3-off 1.1777E+00 -9.727535813192E+00 2.5019E-05, end=2
ITER STEP NUMBER 7
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 7
-P-0000 leave_test : synchronization done...
vtorho: loop on k-points and spins done in parallel
,Min el dens= 5.4303E-05 el/bohr^3 at reduced coord. 0.0000 0.0000 0.0000
,Max el dens= 7.9008E-02 el/bohr^3 at reduced coord. 0.5750 0.6250 0.6500
ETOT 7 -9.7275358183080 -5.116E-09 3.623E-05 3.703E-05 0.000E+00
0.000E+00
scprqt: <Vxc>= -3.1116972E-01 hartree
At SCF step 7, etot is converged :
for the second time, diff in etot= 5.116E-09 < toldfe= 1.000E-06
forstrnps: loop on k-points and spins done in parallel
-P-0000 leave_test : synchronization done...
Cartesian components of stress tensor (hartree/bohr^3)
sigma(1 1)= -8.42469144E-06 sigma(3 2)= 0.00000000E+00
sigma(2 2)= -8.42469144E-06 sigma(3 1)= 0.00000000E+00
sigma(3 3)= -8.42469144E-06 sigma(2 1)= 0.00000000E+00
afterscfloop : fred= 0.000000000000000 0.000000000000000
0.000000000000000 0.000000000000000 0.000000000000000
0.000000000000000
ioarr: writing density data
ioarr: file name is testo_DS1_DEN
ioarr: data written to disk file testo_DS1_DEN
======================================================================
Calculating and writing out Kohn-Sham electronic Structure file
Using diagonalized wavefunctions and energies (kssform=1)
Additional amount of memory required by "outkss" routine= 452.39 Mbytes.
Sorting g-vecs for an output of states on an unique "big" PW basis.
The inversion is the symmetry operation no. 2
The symmetry operations no. 1 and no. 2 are related through the
inversion.
The symmetry operation no. 2 will be suppressed.
The symmetry operations no. 3 and no. 4 are related through the
inversion.
The symmetry operation no. 4 will be suppressed.
The symmetry operations no. 5 and no. 6 are related through the
inversion.
The symmetry operation no. 6 will be suppressed.
The symmetry operations no. 7 and no. 8 are related through the
inversion.
The symmetry operation no. 8 will be suppressed.
The symmetry operations no. 9 and no. 10 are related through the
inversion.
The symmetry operation no. 9 will be suppressed.
The symmetry operations no. 11 and no. 12 are related through the
inversion.
The symmetry operation no. 11 will be suppressed.
The symmetry operations no. 13 and no. 14 are related through the
inversion.
The symmetry operation no. 13 will be suppressed.
The symmetry operations no. 15 and no. 16 are related through the
inversion.
The symmetry operation no. 15 will be suppressed.
The symmetry operations no. 17 and no. 18 are related through the
inversion.
The symmetry operation no. 18 will be suppressed.
The symmetry operations no. 19 and no. 20 are related through the
inversion.
The symmetry operation no. 20 will be suppressed.
The symmetry operations no. 21 and no. 22 are related through the
inversion.
The symmetry operation no. 22 will be suppressed.
The symmetry operations no. 23 and no. 24 are related through the
inversion.
The symmetry operation no. 24 will be suppressed.
The symmetry operations no. 25 and no. 26 are related through the
inversion.
The symmetry operation no. 25 will be suppressed.
The symmetry operations no. 27 and no. 28 are related through the
inversion.
The symmetry operation no. 27 will be suppressed.
The symmetry operations no. 29 and no. 30 are related through the
inversion.
The symmetry operation no. 29 will be suppressed.
The symmetry operations no. 31 and no. 32 are related through the
inversion.
The symmetry operation no. 31 will be suppressed.
The symmetry operations no. 33 and no. 34 are related through the
inversion.
The symmetry operation no. 34 will be suppressed.
The symmetry operations no. 35 and no. 36 are related through the
inversion.
The symmetry operation no. 36 will be suppressed.
The symmetry operations no. 37 and no. 38 are related through the
inversion.
The symmetry operation no. 38 will be suppressed.
The symmetry operations no. 39 and no. 40 are related through the
inversion.
The symmetry operation no. 40 will be suppressed.
The symmetry operations no. 41 and no. 42 are related through the
inversion.
The symmetry operation no. 41 will be suppressed.
The symmetry operations no. 43 and no. 44 are related through the
inversion.
The symmetry operation no. 43 will be suppressed.
The symmetry operations no. 45 and no. 46 are related through the
inversion.
The symmetry operation no. 45 will be suppressed.
The symmetry operations no. 47 and no. 48 are related through the
inversion.
The symmetry operation no. 47 will be suppressed.
Inversion related operations have been suppressed from symmetries list.
Shells found:
number of shell number of G vectors cut-off energy
1 1 0.000
2 7 0.323
3 19 0.646
4 27 0.969
5 33 1.292
6 57 1.615
7 81 1.938
8 93 2.584
9 99 2.907
10 123 2.907
11 147 3.230
12 171 3.553
13 179 3.876
14 203 4.199
15 251 4.522
16 257 5.168
17 281 5.491
18 305 5.491
19 317 5.814
20 341 5.814
21 365 6.137
22 389 6.460
23 437 6.783
24 461 7.106
25 485 7.752
26 491 8.075
27 515 8.075
28 539 8.398
29 587 8.398
30 611 8.721
31 619 8.721
32 643 9.367
33 691 9.367
34 739 9.690
35 751 10.336
36 775 10.659
37 799 10.659
38 823 10.982
39 847 10.982
40 895 11.305
41 901 11.628
42 925 11.628
43 949 11.951
44 973 12.274
45 1021 12.274
46 1045 12.920
47 1069 13.243
48 1117 13.243
49 1141 13.243
50 1189 13.566
51 1213 13.889
52 1237 14.212
53 1261 14.535
54 1309 14.535
55 1357 14.858
56 1365 15.504
57 1371 15.827
58 1419 15.827
59 1443 16.150
60 1455 16.150
61 1503 16.150
62 1527 16.473
63 1551 16.473
64 1575 16.796
65 1599 17.119
66 1647 17.119
67 1695 17.442
68 1719 17.442
69 1743 17.442
70 1791 18.088
71 1815 18.411
72 1839 18.411
73 1863 18.734
74 1911 19.057
75 1935 19.057
76 1959 19.703
77 2007 19.703
78 2055 20.026
79 2103 20.026
80 2109 20.672
81 2133 20.995
82 2157 20.995
83 2205 20.995
84 2229 21.318
85 2277 21.318
86 2301 21.318
87 2325 21.641
88 2349 21.964
89 2373 21.964
90 2421 22.287
91 2469 22.287
92 2517 22.610
93 2529 23.256
94 2553 23.256
95 2577 23.579
96 2601 23.579
97 2625 23.902
98 2673 23.902
99 2721 23.902
100 2769 24.225
101 2777 24.225
102 2801 24.548
103 2849 24.871
104 2897 24.871
105 2945 25.194
106 2969 25.840
107 2975 26.163
108 3023 26.163
109 3047 26.163
110 3071 26.163
111 3095 26.486
112 3119 26.486
113 3143 26.809
114 3191 26.809
115 3239 27.132
116 3263 27.455
117 3287 27.455
118 3335 27.778
119 3383 27.778
120 3407 27.778
121 3431 28.424
122 3455 28.747
123 3479 28.747
124 3527 28.747
125 3575 28.747
126 3599 29.070
127 3647 29.070
128 3695 29.070
129 3743 29.393
130 3791 30.039
131 3839 30.362
132 3887 30.362
133 3911 31.008
134 3935 31.331
135 3959 31.331
136 4007 31.654
137 4055 31.654
138 4067 31.654
139 4091 31.977
140 4115 31.977
141 4139 31.977
142 4145 32.300
143 4169 32.300
144 4193 32.623
145 4241 32.623
146 4289 32.623
147 4337 32.623
148 4361 32.946
149 4385 32.946
150 4433 33.591
151 4457 33.591
152 4505 33.914
153 4553 33.914
154 4577 34.237
155 4625 34.237
156 4649 34.560
157 4697 34.560
158 4705 34.883
159 4753 35.206
160 4801 35.529
Since the number of g's to be written on file
was 0 or too large, it has been set to the max. value.,
computed from the union of the sets of G vectors for the different k-points.
Number of g-vectors written on file is: 4801
Number of bands written on file is: 200
Since the number of bands to be computed
is less than the number of G-vectors found,
the program will perform partial diagonalizations.
Amount of disk space required by _STA file= 293.20 Mbytes.
Opening file for KS structure output: testo_DS1_KSS
number of Gamma centered plane waves 4801
number of Gamma centered shells 160
number of bands 200
maximum angular momentum components 4
number of symmetry operations 24 (without inversion)
* g( 1)= 0 0 0
* g( 2)= -1 0 0
* g( 3)= 1 0 0
* g( 4)= 0 1 0
* g( 5)= 0 -1 0
* g( 6)= 0 0 -1
* g( 7)= 0 0 1
* g( 8)= -1 -1 0
* g(4795)= 7 6 5
* g(4796)= 7 -6 5
* g(4797)= -7 6 -5
* g(4798)= 7 6 -5
* g(4799)= -7 -6 5
* g(4800)= -7 6 5
* g(4801)= 7 -6 -5
-P-0000
-P-0000 k-point 1
-P-0000 Calculating <G|H|G'> elements
-P-0000 Begin partial diago for ikpt= 1 - Size of mat.= 3743 - # bnds= 200
Eigenvalues in Hartrees for ikpt= 1:
1 -0.5481 -0.1654 -0.1654 -0.1654 -0.1325 -0.1325 -0.0551 0.0252
0.0252
0.0252 0.1037 0.1037 0.1037 0.1410 0.1612 0.1612 0.1612
0.1817
0.1817 0.3345 0.3345 0.3345 0.3887 0.3887 0.3887 0.4429
0.4429
0.4429 0.5117 0.6875 0.6875 0.7107 0.7958 0.7958 0.7958
0.8523
0.8844 0.8844 0.8844 0.9674 0.9674 1.0190 1.0668 1.0668
1.0668
1.2205 1.2205 1.2205 1.2285 1.2285 1.2285 1.2455 1.2455
1.2455
1.2758 1.2758 1.2936 1.2936 1.2936 1.3062 1.3531 1.3531
1.3531
1.4160 1.4160 1.4160 1.5151 1.5197 1.5197 1.5870 1.5870
1.5870
1.5888 1.5888 1.6156 1.6156 1.6156 1.7409 1.8628 1.8814
1.8814
1.8814 1.8960 1.8960 1.8960 1.9687 1.9687 1.9687 2.1622
2.1622
2.1689 2.1689 2.1689 2.2497 2.2497 2.2497 2.2533 2.2533
2.2533
2.2768 2.4671 2.4671 2.4671 2.4880 2.4880 2.5083 2.5083
2.5083
2.5221 2.5568 2.5568 2.5568 2.5648 2.5648 2.5790 2.5790
2.5790
2.5836 2.5836 2.5836 2.5867 2.5867 2.7371 2.7371 2.7371
2.7411
2.7411 2.7411 2.7539 2.7740 2.7740 2.7740 2.8497 2.8497
2.8497
2.8615 2.8615 2.8708 2.8708 2.8708 2.8716 2.8716 2.8716
2.9040
2.9073 2.9073 3.0339 3.0339 3.0339 3.0384 3.0540 3.0540
3.0540
3.0581 3.1693 3.1693 3.1693 3.1778 3.1778 3.1818 3.2373
3.2373
3.2373 3.2583 3.2583 3.2661 3.2661 3.2661 3.3166 3.3166
3.3166
3.3994 3.5469 3.5469 3.5469 3.5581 3.5581 3.5581 3.5900
3.6006
3.6006 3.6006 3.7279 3.7279 3.7955 3.7955 3.7955 3.8031
3.8031
3.8031 3.8267 3.8267 3.8267 3.8268 3.8268 3.8268 3.8508
3.8508
3.8521 3.8710
Writing out eigenvalues/vectors for ikpt= 1.
Occupation numbers for ikpt= 1:
1 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 2
-P-0000 Calculating <G|H|G'> elements
-P-0000 Begin partial diago for ikpt= 2 - Size of mat.= 3779 - # bnds= 200
Eigenvalues in Hartrees for ikpt= 2:
2 -0.5426 -0.2144 -0.1709 -0.1709 -0.1263 -0.0969 -0.0157 0.0264
0.0264
0.0291 0.0718 0.1172 0.1172 0.1349 0.1536 0.1536 0.1538
0.2018
0.2037 0.2862 0.2862 0.2917 0.3860 0.4457 0.4457 0.4640
0.4676
0.4676 0.5359 0.6464 0.6954 0.7268 0.7370 0.7663 0.7663
0.8042
0.8842 0.8842 0.9348 0.9635 1.0070 1.0232 1.0232 1.0740
1.0957
1.1329 1.1443 1.1443 1.1755 1.2109 1.2164 1.2164 1.2444
1.2444
1.2519 1.2898 1.3263 1.3267 1.3329 1.3329 1.3484 1.4137
1.4298
1.4298 1.4631 1.4631 1.5059 1.5077 1.5276 1.5336 1.5932
1.5932
1.6476 1.6476 1.6693 1.7169 1.7242 1.7356 1.8105 1.8519
1.8660
1.8660 1.9009 1.9009 1.9352 1.9866 1.9866 2.0118 2.0616
2.0735
2.0798 2.0798 2.1720 2.2104 2.2370 2.2370 2.2484 2.3337
2.3337
2.3547 2.3570 2.3917 2.3917 2.4414 2.4481 2.4494 2.4494
2.4576
2.4750 2.4854 2.4854 2.4984 2.5257 2.5421 2.5427 2.5427
2.5766
2.6149 2.6149 2.6522 2.6725 2.7205 2.7220 2.7401 2.7401
2.7501
2.7681 2.7681 2.7713 2.7819 2.8060 2.8060 2.8091 2.8378
2.8385
2.8385 2.8423 2.8757 2.8955 2.9045 2.9045 2.9337 2.9337
2.9365
2.9440 2.9644 3.0055 3.0169 3.0339 3.0339 3.0417 3.1041
3.1177
3.1177 3.1281 3.1497 3.1497 3.1526 3.2092 3.2156 3.2336
3.2336
3.2851 3.3117 3.3117 3.3119 3.3325 3.3394 3.3872 3.3872
3.4029
3.4372 3.4569 3.4569 3.4966 3.5271 3.5271 3.5536 3.5618
3.5799
3.5974 3.5977 3.5977 3.6330 3.7113 3.7115 3.7115 3.7345
3.7345
3.7660 3.8019 3.8099 3.8099 3.8244 3.8301 3.8393 3.8393
3.8535
3.8594 3.8636
Writing out eigenvalues/vectors for ikpt= 2.
Occupation numbers for ikpt= 2:
2 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 3
-P-0000 Calculating <G|H|G'> elements
-P-0000 Begin partial diago for ikpt= 3 - Size of mat.= 3755 - # bnds= 200
Eigenvalues in Hartrees for ikpt= 3:
3 -0.5304 -0.2678 -0.1814 -0.1814 -0.1103 -0.0325 0.0245 0.0383
0.0384
0.0408 0.0408 0.1123 0.1123 0.1214 0.1333 0.1509 0.1509
0.2073
0.2219 0.2538 0.2538 0.2786 0.3811 0.4812 0.4812 0.5115
0.5201
0.5440 0.5548 0.5548 0.7166 0.7166 0.7208 0.7256 0.7612
0.8125
0.8694 0.8694 0.9047 0.9047 0.9283 0.9532 0.9578 1.0643
1.0972
1.1122 1.1455 1.1455 1.1890 1.1949 1.1949 1.2076 1.2469
1.2469
1.2680 1.2729 1.3073 1.3073 1.3369 1.3392 1.3760 1.3917
1.4394
1.4994 1.4994 1.5323 1.5495 1.5951 1.5951 1.6439 1.6598
1.6598
1.7269 1.7269 1.7375 1.7409 1.7901 1.7936 1.7936 1.8010
1.8493
1.8609 1.9024 1.9024 1.9349 1.9913 2.0052 2.0052 2.0291
2.0599
2.0865 2.0865 2.1460 2.1699 2.1738 2.1738 2.1781 2.2188
2.2188
2.2413 2.2552 2.2552 2.2696 2.3427 2.3480 2.3480 2.3612
2.4055
2.4342 2.4667 2.5035 2.5035 2.5100 2.5650 2.5682 2.5682
2.5816
2.6228 2.6449 2.6449 2.6713 2.7021 2.7027 2.7212 2.7321
2.7321
2.7732 2.7974 2.8058 2.8058 2.8239 2.8239 2.8296 2.9115
2.9115
2.9159 2.9259 2.9259 2.9332 2.9356 3.0187 3.0187 3.0288
3.0326
3.0393 3.0454 3.0482 3.0551 3.0551 3.0750 3.0808 3.0850
3.1157
3.1363 3.1363 3.1660 3.1671 3.1978 3.1978 3.2023 3.2023
3.2229
3.2808 3.3206 3.3370 3.3412 3.3412 3.3947 3.4108 3.4108
3.4287
3.4287 3.4289 3.4635 3.4681 3.4729 3.4729 3.4766 3.5609
3.5609
3.5693 3.5787 3.5797 3.5797 3.5856 3.5985 3.6583 3.6873
3.7160
3.7160 3.7322 3.7651 3.7699 3.7719 3.8018 3.8018 3.8102
3.8239
3.8239 3.8465
Writing out eigenvalues/vectors for ikpt= 3.
Occupation numbers for ikpt= 3:
3 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 4
Eigenvalues in Hartrees for ikpt= 4:
4 -0.5236 -0.2892 -0.1865 -0.1865 -0.0990 0.0012 0.0321 0.0441
0.0458
0.0702 0.0702 0.0758 0.0758 0.1135 0.1169 0.1566 0.1583
0.1583
0.2280 0.2476 0.2476 0.3789 0.3900 0.3981 0.5093 0.5093
0.5126
0.5380 0.5821 0.5821 0.7505 0.7505 0.7582 0.7652 0.7652
0.7800
0.7934 0.8084 0.8573 0.8903 0.8929 0.8929 0.9527 1.0365
1.1264
1.1392 1.1422 1.1422 1.1819 1.1890 1.1890 1.1992 1.2340
1.2658
1.2658 1.2790 1.2835 1.2835 1.3345 1.3976 1.4109 1.4197
1.4204
1.5461 1.5636 1.5636 1.5668 1.5765 1.5765 1.6308 1.6842
1.7121
1.7121 1.7462 1.7510 1.7818 1.7818 1.8593 1.8593 1.8608
1.9044
1.9044 1.9295 1.9379 1.9604 1.9604 1.9955 1.9956 2.0055
2.0090
2.0090 2.0315 2.1052 2.1409 2.1498 2.1498 2.1776 2.1852
2.1852
2.2008 2.2146 2.2146 2.2652 2.2778 2.2980 2.3152 2.3152
2.3467
2.4079 2.4398 2.4639 2.5024 2.5024 2.5073 2.5097 2.5097
2.5800
2.6062 2.6392 2.6843 2.7251 2.7251 2.7376 2.7376 2.7749
2.7774
2.8071 2.8071 2.8594 2.8706 2.8793 2.8793 2.8794 2.8962
2.9293
2.9419 2.9419 2.9584 2.9705 2.9705 3.0002 3.0002 3.0020
3.0203
3.0220 3.0220 3.0363 3.0552 3.0562 3.0599 3.1294 3.1636
3.2149
3.2157 3.2157 3.2219 3.2219 3.2247 3.2396 3.2396 3.2454
3.2622
3.2622 3.2642 3.2656 3.2928 3.2931 3.3192 3.3192 3.3413
3.3413
3.3746 3.3778 3.3829 3.4089 3.4483 3.4483 3.5175 3.5408
3.5441
3.5915 3.5953 3.6065 3.6135 3.6159 3.6159 3.6430 3.6711
3.6711
3.6974 3.6974 3.7296 3.7338 3.7772 3.8183 3.8183 3.8249
3.8249
3.8582 3.8648
Writing out eigenvalues/vectors for ikpt= 4.
Occupation numbers for ikpt= 4:
4 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 5
Eigenvalues in Hartrees for ikpt= 5:
5 -0.5381 -0.2213 -0.1995 -0.1726 -0.1077 -0.0744 -0.0258 -0.0006
0.0537
0.0584 0.0929 0.0975 0.1181 0.1265 0.1274 0.1563 0.1623
0.2107
0.2184 0.2431 0.2728 0.3125 0.3963 0.4462 0.4591 0.4719
0.4738
0.4915 0.5637 0.6360 0.6849 0.7189 0.7351 0.7357 0.7562
0.7802
0.8769 0.8858 0.9318 0.9687 1.0064 1.0114 1.0174 1.0283
1.1142
1.1171 1.1278 1.1377 1.1538 1.1713 1.1847 1.1946 1.2272
1.2364
1.2498 1.2710 1.3506 1.3525 1.3712 1.3887 1.3893 1.4025
1.4259
1.4554 1.4728 1.5025 1.5128 1.5402 1.5683 1.5976 1.6120
1.6226
1.6280 1.6628 1.6807 1.6981 1.7581 1.7886 1.8162 1.8196
1.8547
1.8687 1.9146 1.9223 1.9419 1.9853 1.9921 2.0006 2.0573
2.0632
2.0661 2.0732 2.0862 2.1826 2.2013 2.2133 2.2646 2.2744
2.3143
2.3407 2.3442 2.3454 2.3858 2.3934 2.4070 2.4411 2.4444
2.4481
2.4771 2.4792 2.4908 2.5062 2.5283 2.5422 2.5631 2.5773
2.5793
2.5841 2.5928 2.6021 2.6428 2.6705 2.6835 2.6849 2.7091
2.7345
2.7475 2.7652 2.7681 2.7831 2.7838 2.8123 2.8196 2.8255
2.8651
2.8679 2.8827 2.8841 2.9110 2.9380 2.9567 2.9703 2.9835
2.9917
2.9965 2.9967 3.0172 3.0383 3.0624 3.0626 3.0757 3.0913
3.1055
3.1127 3.1524 3.1650 3.1742 3.1971 3.2210 3.2526 3.2641
3.2678
3.2792 3.3131 3.3138 3.3215 3.3247 3.3857 3.3999 3.4126
3.4265
3.4340 3.4621 3.4741 3.5039 3.5267 3.5308 3.5477 3.5811
3.5915
3.5945 3.6035 3.6105 3.6209 3.6257 3.6318 3.6420 3.6726
3.6756
3.6991 3.7179 3.7192 3.7297 3.7479 3.7627 3.7718 3.8193
3.8293
3.8348 3.8434
Writing out eigenvalues/vectors for ikpt= 5.
Occupation numbers for ikpt= 5:
5 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 6
Eigenvalues in Hartrees for ikpt= 6:
6 -0.5285 -0.2603 -0.2023 -0.1771 -0.0954 -0.0267 -0.0144 -0.0063
0.0529
0.0539 0.0779 0.1072 0.1100 0.1390 0.1420 0.1524 0.1550
0.2018
0.2263 0.2626 0.2626 0.2816 0.3935 0.4598 0.4975 0.4995
0.5204
0.5358 0.5471 0.5702 0.6937 0.7063 0.7088 0.7558 0.7898
0.7921
0.8265 0.8726 0.8784 0.9043 0.9334 0.9737 0.9959 1.0195
1.0267
1.0987 1.1123 1.1446 1.1656 1.1723 1.1995 1.2050 1.2096
1.2339
1.2637 1.3102 1.3283 1.3567 1.3799 1.3979 1.4096 1.4173
1.4692
1.4970 1.5248 1.5293 1.5921 1.6039 1.6066 1.6221 1.6508
1.6675
1.6912 1.7089 1.7549 1.7639 1.7774 1.8068 1.8225 1.8249
1.8562
1.8707 1.8913 1.9140 1.9543 1.9899 1.9973 2.0021 2.0196
2.0303
2.0379 2.0862 2.1156 2.1382 2.1385 2.1510 2.1614 2.1938
2.2338
2.2469 2.2979 2.3109 2.3353 2.3420 2.3473 2.3505 2.4190
2.4220
2.4372 2.4392 2.4564 2.4659 2.5025 2.5106 2.5357 2.5570
2.5585
2.5680 2.6247 2.6316 2.6657 2.6725 2.6908 2.6948 2.7161
2.7264
2.7407 2.7617 2.7842 2.7962 2.7988 2.8158 2.8426 2.8609
2.8727
2.8945 2.9277 2.9303 2.9574 2.9637 2.9971 3.0047 3.0087
3.0230
3.0369 3.0481 3.0639 3.0699 3.0896 3.1216 3.1316 3.1322
3.1397
3.1599 3.1713 3.2147 3.2156 3.2239 3.2370 3.2383 3.2648
3.2770
3.2974 3.3030 3.3337 3.3698 3.3817 3.4020 3.4080 3.4158
3.4175
3.4272 3.4514 3.4548 3.4581 3.4622 3.4917 3.4982 3.5190
3.5223
3.5308 3.5432 3.5861 3.5945 3.6164 3.6233 3.6465 3.6657
3.6790
3.6832 3.7240 3.7342 3.7368 3.7457 3.7552 3.7691 3.7729
3.7848
3.8048 3.8197
Writing out eigenvalues/vectors for ikpt= 6.
Occupation numbers for ikpt= 6:
6 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 7
Eigenvalues in Hartrees for ikpt= 7:
7 -0.5233 -0.2779 -0.2023 -0.1798 -0.0919 -0.0046 0.0040 0.0175
0.0305
0.0373 0.0761 0.0885 0.1173 0.1401 0.1531 0.1559 0.1587
0.1755
0.2298 0.2474 0.2622 0.3659 0.3891 0.3988 0.4899 0.5014
0.5304
0.5467 0.5651 0.5847 0.7050 0.7411 0.7414 0.7561 0.7595
0.7904
0.8217 0.8242 0.8386 0.8972 0.8997 0.9149 0.9907 0.9942
1.0236
1.1077 1.1194 1.1508 1.1527 1.1588 1.1658 1.2074 1.2404
1.2482
1.2517 1.3047 1.3466 1.3819 1.3946 1.4221 1.4292 1.4494
1.4627
1.4655 1.5587 1.5678 1.5734 1.6022 1.6232 1.6508 1.6631
1.6905
1.7244 1.7530 1.7545 1.7982 1.8060 1.8370 1.8520 1.8597
1.8687
1.8986 1.9065 1.9253 1.9555 1.9839 1.9943 1.9972 2.0055
2.0217
2.0234 2.0307 2.0661 2.0730 2.1163 2.1398 2.1605 2.1674
2.2041
2.2219 2.2229 2.2843 2.3136 2.3279 2.3381 2.3548 2.3592
2.3636
2.3827 2.4167 2.4434 2.4440 2.4650 2.5084 2.5397 2.5493
2.5503
2.5670 2.6157 2.6306 2.6627 2.6755 2.7031 2.7065 2.7396
2.7656
2.7668 2.7700 2.7811 2.8095 2.8386 2.8439 2.8863 2.8957
2.9075
2.9195 2.9196 2.9480 2.9760 2.9910 2.9972 3.0050 3.0175
3.0180
3.0262 3.0624 3.0706 3.0984 3.1134 3.1302 3.1383 3.1523
3.1808
3.1820 3.1944 3.2080 3.2215 3.2415 3.2467 3.2527 3.2606
3.2810
3.2915 3.2998 3.3094 3.3314 3.3330 3.3393 3.3538 3.3614
3.3831
3.4440 3.4639 3.4654 3.4757 3.4798 3.5015 3.5199 3.5264
3.5335
3.5338 3.5401 3.5519 3.5804 3.5957 3.6238 3.6246 3.6323
3.6472
3.6727 3.6860 3.7110 3.7617 3.7634 3.7638 3.7803 3.7850
3.8046
3.8498 3.8566
Writing out eigenvalues/vectors for ikpt= 7.
Occupation numbers for ikpt= 7:
7 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 8
Eigenvalues in Hartrees for ikpt= 8:
8 -0.5247 -0.2492 -0.2255 -0.1679 -0.0932 -0.0401 -0.0327 0.0088
0.0113
0.0452 0.1124 0.1126 0.1428 0.1511 0.1519 0.1615 0.1723
0.1836
0.2382 0.2566 0.2891 0.2928 0.4083 0.4405 0.4891 0.4914
0.5116
0.5281 0.5620 0.6048 0.6438 0.6846 0.6937 0.7609 0.7884
0.8082
0.8328 0.8703 0.8835 0.8840 0.9177 0.9333 0.9539 0.9996
1.0276
1.0335 1.0780 1.1177 1.1334 1.1413 1.1660 1.1962 1.2506
1.2607
1.2697 1.3042 1.3706 1.3772 1.3932 1.4593 1.4826 1.4967
1.5072
1.5289 1.5320 1.5794 1.5978 1.6385 1.6532 1.6599 1.6746
1.6884
1.7010 1.7334 1.7526 1.7564 1.8059 1.8134 1.8142 1.8239
1.8600
1.8619 1.9106 1.9147 1.9166 1.9562 1.9603 1.9635 2.0023
2.0082
2.0123 2.0739 2.1186 2.1266 2.1533 2.1593 2.1689 2.2050
2.2125
2.2247 2.2766 2.2860 2.3224 2.3328 2.3350 2.3498 2.3709
2.3732
2.3916 2.4079 2.4777 2.4819 2.5076 2.5164 2.5401 2.5452
2.5516
2.5664 2.6057 2.6303 2.6390 2.6550 2.6740 2.6866 2.6951
2.7033
2.7101 2.7199 2.7306 2.7464 2.7661 2.7746 2.8192 2.8237
2.8458
2.8502 2.8632 2.9164 2.9450 2.9477 2.9950 2.9968 2.9990
3.0785
3.0875 3.0918 3.0940 3.1150 3.1281 3.1406 3.1465 3.1625
3.1763
3.1824 3.1914 3.2154 3.2291 3.2387 3.2757 3.2888 3.3080
3.3126
3.3136 3.3535 3.3660 3.3788 3.3812 3.3836 3.4138 3.4255
3.4314
3.4399 3.4724 3.4771 3.4776 3.4882 3.4935 3.5003 3.5003
3.5199
3.5916 3.6085 3.6101 3.6111 3.6292 3.6298 3.6456 3.6675
3.6739
3.6933 3.7192 3.7277 3.7336 3.7630 3.7676 3.7947 3.7948
3.8221
3.8356 3.8444
Writing out eigenvalues/vectors for ikpt= 8.
Occupation numbers for ikpt= 8:
8 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 9
Eigenvalues in Hartrees for ikpt= 9:
9 -0.5227 -0.2516 -0.2252 -0.1629 -0.1030 -0.0424 -0.0321 -0.0205
0.0277
0.0773 0.1017 0.1053 0.1431 0.1507 0.1595 0.1614 0.1664
0.2115
0.2374 0.2441 0.3104 0.3382 0.3981 0.4064 0.4676 0.4750
0.4933
0.5792 0.5884 0.5968 0.6332 0.6985 0.7297 0.7356 0.7476
0.7873
0.8184 0.8399 0.8606 0.8940 0.9195 0.9646 0.9764 0.9858
0.9952
1.0500 1.0840 1.0919 1.1191 1.1288 1.1290 1.1966 1.1966
1.2716
1.2944 1.3068 1.3736 1.3950 1.4298 1.4752 1.4828 1.5332
1.5341
1.5747 1.5895 1.5982 1.6205 1.6501 1.6688 1.6766 1.6802
1.6896
1.6951 1.7251 1.7378 1.7561 1.8026 1.8158 1.8169 1.8323
1.8550
1.8817 1.8865 1.8948 1.9430 1.9455 1.9496 1.9580 1.9928
2.0331
2.0605 2.0732 2.0764 2.0969 2.1162 2.1396 2.1640 2.1748
2.2126
2.2175 2.2194 2.2602 2.2952 2.3073 2.3300 2.3471 2.3781
2.4103
2.4244 2.4372 2.4731 2.4748 2.4996 2.5083 2.5226 2.5313
2.5465
2.5579 2.6109 2.6258 2.6332 2.6404 2.6605 2.6683 2.6766
2.6787
2.6985 2.7074 2.7277 2.7439 2.7654 2.7973 2.8165 2.8195
2.8868
2.9010 2.9103 2.9229 2.9314 2.9379 2.9540 2.9652 2.9764
3.0184
3.0348 3.0527 3.0940 3.1245 3.1268 3.1394 3.1426 3.1436
3.1580
3.1789 3.2028 3.2242 3.2541 3.2642 3.2642 3.2796 3.3076
3.3242
3.3553 3.3578 3.3637 3.3804 3.3851 3.4036 3.4365 3.4400
3.4620
3.4647 3.4693 3.4774 3.5034 3.5108 3.5224 3.5269 3.5635
3.5651
3.5670 3.5818 3.5952 3.6366 3.6413 3.6657 3.6960 3.6972
3.7314
3.7453 3.7515 3.7548 3.7883 3.7964 3.8246 3.8488 3.8502
3.8584
3.8684 3.8807
Writing out eigenvalues/vectors for ikpt= 9.
Occupation numbers for ikpt= 9:
9 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 10
Eigenvalues in Hartrees for ikpt= 10:
10 -0.5225 -0.2342 -0.2342 -0.1509 -0.1223 -0.0571 -0.0449 -0.0449
0.0828
0.0828 0.1025 0.1223 0.1350 0.1350 0.1591 0.1610 0.1675
0.2336
0.2409 0.2409 0.3654 0.3721 0.3963 0.3963 0.4136 0.4136
0.5187
0.5880 0.5880 0.5974 0.6767 0.6769 0.7337 0.7337 0.7371
0.7624
0.7710 0.8179 0.8179 0.9255 0.9322 0.9773 0.9952 1.0307
1.0490
1.0490 1.0663 1.0663 1.0966 1.1049 1.1049 1.1816 1.1816
1.1824
1.2899 1.2899 1.3302 1.4737 1.5308 1.5585 1.5770 1.5770
1.6030
1.6076 1.6161 1.6274 1.6277 1.6277 1.6363 1.6413 1.6413
1.6650
1.6930 1.7258 1.7258 1.7404 1.7404 1.8255 1.8385 1.8446
1.8453
1.8453 1.8734 1.9331 1.9394 1.9598 1.9601 1.9601 1.9759
2.0002
2.0377 2.0631 2.0962 2.0962 2.1171 2.1171 2.1215 2.1215
2.1873
2.1957 2.2810 2.3411 2.3411 2.3423 2.3595 2.3595 2.3736
2.3947
2.3947 2.4139 2.4480 2.4530 2.4680 2.5079 2.5092 2.5219
2.5219
2.5614 2.6050 2.6173 2.6173 2.6320 2.6320 2.6959 2.7293
2.7293
2.7373 2.7402 2.7489 2.7489 2.7512 2.7512 2.7736 2.8014
2.8053
2.8414 2.8872 2.9133 2.9135 2.9142 2.9346 2.9346 2.9599
2.9599
3.0241 3.0336 3.0336 3.0824 3.1131 3.1131 3.1266 3.1540
3.1540
3.1595 3.1662 3.2392 3.2578 3.2578 3.2722 3.2749 3.2919
3.2919
3.3645 3.4071 3.4115 3.4233 3.4233 3.4703 3.4703 3.4743
3.4776
3.5011 3.5142 3.5142 3.5557 3.5703 3.6399 3.6535 3.6535
3.6665
3.6682 3.6796 3.6796 3.6881 3.6920 3.6920 3.7163 3.7373
3.7385
3.7385 3.7389 3.7573 3.7590 3.7590 3.7633 3.7853 3.8463
3.8463
3.8613 3.8768
Writing out eigenvalues/vectors for ikpt= 10.
Occupation numbers for ikpt= 10:
10 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 11
Eigenvalues in Hartrees for ikpt= 11:
11 -0.5343 -0.2170 -0.2034 -0.2034 -0.0787 -0.0787 -0.0023 0.0105
0.0105
0.0596 0.1062 0.1062 0.1146 0.1237 0.1453 0.1568 0.1568
0.2223
0.2223 0.2408 0.2730 0.2730 0.4460 0.4511 0.4529 0.4529
0.5025
0.5025 0.5586 0.6541 0.6541 0.7119 0.7299 0.7299 0.7626
0.7769
0.8535 0.8535 0.9462 0.9782 0.9782 0.9867 0.9945 1.0385
1.0385
1.1158 1.1158 1.1507 1.1617 1.1617 1.1621 1.2105 1.2105
1.2452
1.3026 1.3026 1.3593 1.3593 1.3624 1.3646 1.4188 1.4188
1.4342
1.4342 1.4365 1.5742 1.5742 1.5945 1.6104 1.6127 1.6146
1.6146
1.6399 1.6952 1.6952 1.7152 1.7564 1.7564 1.8044 1.8437
1.8437
1.8680 1.9146 1.9146 1.9383 1.9697 1.9738 1.9738 2.0505
2.0505
2.0894 2.1635 2.1635 2.2041 2.2041 2.2090 2.2166 2.2166
2.2487
2.2881 2.2881 2.3125 2.3517 2.3677 2.3677 2.3993 2.4238
2.4531
2.4531 2.4551 2.4551 2.4986 2.4986 2.5178 2.5867 2.5867
2.5876
2.6029 2.6499 2.6499 2.6549 2.6555 2.6555 2.6805 2.6827
2.6827
2.7438 2.7516 2.7516 2.7561 2.7800 2.7800 2.8356 2.8356
2.8364
2.8570 2.8873 2.8873 2.9506 2.9506 2.9517 2.9635 3.0084
3.0148
3.0148 3.0539 3.0539 3.0739 3.0868 3.0868 3.1033 3.1061
3.1533
3.1533 3.1809 3.1809 3.2193 3.2249 3.2249 3.2907 3.2947
3.2947
3.3202 3.3202 3.3243 3.3254 3.3453 3.3453 3.3840 3.3840
3.3887
3.4012 3.4118 3.4513 3.4513 3.4854 3.4872 3.4872 3.5681
3.5883
3.5883 3.5930 3.6088 3.6088 3.6631 3.6858 3.6947 3.6947
3.7181
3.7181 3.7291 3.7291 3.7457 3.7735 3.7735 3.7818 3.8028
3.8028
3.8152 3.8152
Writing out eigenvalues/vectors for ikpt= 11.
Occupation numbers for ikpt= 11:
11 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 12
Eigenvalues in Hartrees for ikpt= 12:
12 -0.5264 -0.2529 -0.2118 -0.1921 -0.0807 -0.0410 -0.0158 0.0137
0.0359
0.0522 0.0801 0.1213 0.1275 0.1367 0.1478 0.1551 0.1626
0.2064
0.2249 0.2409 0.2737 0.2819 0.4218 0.4574 0.4661 0.4998
0.5131
0.5439 0.5572 0.5739 0.6859 0.7033 0.7303 0.7465 0.7689
0.8061
0.8247 0.8361 0.8532 0.8923 0.9539 0.9594 0.9836 1.0091
1.0131
1.0310 1.1245 1.1258 1.1572 1.1852 1.2061 1.2127 1.2539
1.2662
1.3018 1.3386 1.3404 1.3529 1.3711 1.3869 1.3895 1.4309
1.4379
1.5078 1.5486 1.5722 1.5881 1.6083 1.6460 1.6476 1.6588
1.6656
1.6927 1.7045 1.7455 1.7601 1.7827 1.8168 1.8200 1.8308
1.8596
1.8624 1.8762 1.9239 1.9437 1.9524 1.9783 2.0297 2.0409
2.0445
2.0879 2.1132 2.1236 2.1369 2.1428 2.1627 2.1881 2.2061
2.2150
2.2302 2.2699 2.2987 2.3297 2.3336 2.3431 2.3590 2.3889
2.3893
2.4007 2.4258 2.4415 2.4642 2.4642 2.4706 2.4846 2.5228
2.5309
2.5765 2.5986 2.6013 2.6334 2.6521 2.6969 2.7156 2.7239
2.7260
2.7404 2.7579 2.7982 2.8005 2.8122 2.8330 2.8437 2.8750
2.8793
2.8810 2.9009 2.9073 2.9380 2.9659 2.9836 3.0004 3.0043
3.0289
3.0379 3.0589 3.0710 3.0806 3.0946 3.1115 3.1155 3.1371
3.1414
3.1773 3.2092 3.2198 3.2346 3.2528 3.2690 3.2799 3.2933
3.3231
3.3265 3.3300 3.3334 3.3467 3.3519 3.3598 3.3728 3.3915
3.4161
3.4258 3.4372 3.4493 3.4495 3.4728 3.4742 3.5138 3.5179
3.5391
3.5498 3.5607 3.5717 3.5991 3.6402 3.6525 3.6582 3.6915
3.6996
3.7025 3.7173 3.7290 3.7359 3.7628 3.7776 3.8018 3.8206
3.8537
3.8655 3.8656
Writing out eigenvalues/vectors for ikpt= 12.
Occupation numbers for ikpt= 12:
12 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 13
Eigenvalues in Hartrees for ikpt= 13:
13 -0.5221 -0.2697 -0.2162 -0.1821 -0.0791 -0.0408 -0.0290 0.0524
0.0554
0.0638 0.0795 0.0915 0.1125 0.1212 0.1537 0.1554 0.1803
0.1804
0.2270 0.2332 0.2966 0.3461 0.4008 0.4177 0.4884 0.4910
0.4915
0.5061 0.6216 0.6228 0.6938 0.7019 0.7262 0.7482 0.7711
0.7744
0.7847 0.8490 0.8549 0.8845 0.9060 0.9288 0.9635 0.9720
1.0010
1.0247 1.1272 1.1595 1.1597 1.1810 1.1894 1.2342 1.2398
1.2602
1.2928 1.3214 1.3456 1.3922 1.3950 1.3963 1.4489 1.4637
1.4637
1.4732 1.5236 1.5590 1.5739 1.6335 1.6374 1.6783 1.6917
1.6955
1.7345 1.7427 1.7542 1.7879 1.8109 1.8297 1.8324 1.8497
1.8651
1.9040 1.9098 1.9166 1.9467 1.9607 1.9844 2.0037 2.0117
2.0179
2.0587 2.0640 2.0769 2.0988 2.1215 2.1584 2.1903 2.1979
2.2201
2.2374 2.2539 2.2576 2.2843 2.2982 2.3238 2.3318 2.3512
2.3703
2.4016 2.4128 2.4229 2.4425 2.4481 2.4619 2.4772 2.4973
2.5126
2.5648 2.6072 2.6399 2.6451 2.6587 2.6707 2.6762 2.7343
2.7377
2.7723 2.7818 2.7818 2.7927 2.7988 2.8520 2.8749 2.8982
2.9170
2.9239 2.9260 2.9315 2.9577 2.9812 2.9974 3.0109 3.0143
3.0195
3.0329 3.0705 3.0877 3.0893 3.0982 3.1058 3.1211 3.1327
3.1457
3.1641 3.1710 3.1745 3.2200 3.2354 3.2717 3.2751 3.2916
3.3051
3.3150 3.3243 3.3486 3.3660 3.3667 3.3719 3.3753 3.3931
3.4004
3.4301 3.4473 3.4486 3.4637 3.4693 3.5067 3.5259 3.5357
3.5405
3.5648 3.5915 3.5935 3.6033 3.6109 3.6113 3.6285 3.6468
3.6907
3.7416 3.7430 3.7743 3.7874 3.8003 3.8024 3.8027 3.8231
3.8505
3.8543 3.8550
Writing out eigenvalues/vectors for ikpt= 13.
Occupation numbers for ikpt= 13:
13 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 14
Eigenvalues in Hartrees for ikpt= 14:
14 -0.5220 -0.2457 -0.2337 -0.1969 -0.0760 -0.0345 -0.0341 0.0124
0.0305
0.0827 0.1058 0.1203 0.1307 0.1461 0.1522 0.1564 0.1749
0.1940
0.2286 0.2447 0.2871 0.2876 0.4393 0.4469 0.4580 0.5017
0.5026
0.5316 0.5715 0.6016 0.6185 0.7215 0.7415 0.7530 0.7741
0.7879
0.7885 0.8304 0.8396 0.8702 0.9178 0.9199 0.9733 0.9771
1.0073
1.0373 1.0632 1.1282 1.1501 1.1792 1.2079 1.2337 1.2784
1.2981
1.3133 1.3318 1.3512 1.3596 1.3882 1.3886 1.4309 1.4484
1.5157
1.5227 1.5810 1.5858 1.6230 1.6323 1.6378 1.6480 1.6700
1.6981
1.7050 1.7166 1.7344 1.7516 1.7739 1.8176 1.8351 1.8628
1.8674
1.8828 1.9066 1.9284 1.9630 2.0043 2.0145 2.0197 2.0204
2.0310
2.0535 2.0873 2.1045 2.1182 2.1280 2.1435 2.1616 2.1923
2.2035
2.2376 2.2556 2.2833 2.3240 2.3278 2.3384 2.3455 2.3708
2.3786
2.3920 2.4067 2.4147 2.4317 2.4365 2.4682 2.4696 2.5043
2.5238
2.5345 2.5447 2.5674 2.6169 2.6289 2.6595 2.6967 2.6985
2.7107
2.7417 2.7487 2.7751 2.7874 2.8005 2.8089 2.8260 2.8261
2.8656
2.8823 2.8903 2.9308 2.9349 2.9831 2.9933 3.0042 3.0197
3.0416
3.0428 3.0515 3.0650 3.0856 3.0969 3.1020 3.1173 3.1194
3.1578
3.1665 3.1755 3.1918 3.2082 3.2195 3.2482 3.2723 3.2860
3.3285
3.3347 3.3636 3.3895 3.3938 3.4031 3.4117 3.4137 3.4214
3.4254
3.4364 3.4616 3.4833 3.4855 3.4917 3.5467 3.5469 3.5705
3.5975
3.6010 3.6452 3.6533 3.6590 3.6598 3.6767 3.6897 3.7170
3.7227
3.7246 3.7388 3.7574 3.7761 3.7884 3.8116 3.8206 3.8465
3.8599
3.8678 3.8796
Writing out eigenvalues/vectors for ikpt= 14.
Occupation numbers for ikpt= 14:
14 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 15
Eigenvalues in Hartrees for ikpt= 15:
15 -0.5198 -0.2531 -0.2367 -0.1908 -0.0867 -0.0404 -0.0371 0.0281
0.0526
0.0872 0.1059 0.1110 0.1399 0.1467 0.1499 0.1564 0.1673
0.2016
0.2122 0.2446 0.3136 0.3339 0.4012 0.4358 0.4565 0.4738
0.4985
0.5415 0.6039 0.6101 0.6340 0.7134 0.7285 0.7400 0.7504
0.7725
0.7754 0.8292 0.8301 0.8875 0.9178 0.9221 0.9485 0.9906
0.9967
1.0138 1.0540 1.1276 1.1609 1.1693 1.1779 1.2425 1.2732
1.2944
1.2962 1.3527 1.3557 1.3754 1.3835 1.3993 1.4680 1.5007
1.5195
1.5406 1.5893 1.5931 1.6068 1.6326 1.6416 1.6705 1.6910
1.6971
1.7273 1.7344 1.7713 1.7726 1.7832 1.8240 1.8271 1.8618
1.8687
1.8941 1.9099 1.9156 1.9290 1.9636 1.9786 2.0065 2.0606
2.0612
2.0749 2.0819 2.1118 2.1152 2.1395 2.1522 2.1652 2.1653
2.1852
2.1945 2.2272 2.2343 2.2655 2.3228 2.3461 2.3527 2.3740
2.3806
2.3840 2.4026 2.4069 2.4095 2.4575 2.4692 2.4723 2.5133
2.5203
2.5423 2.5577 2.5799 2.6256 2.6285 2.6447 2.6519 2.7129
2.7189
2.7243 2.7324 2.7517 2.7642 2.7768 2.8235 2.8342 2.8400
2.8452
2.8665 2.8710 2.9306 2.9348 2.9437 2.9749 2.9821 2.9947
3.0046
3.0145 3.0385 3.0491 3.0678 3.1041 3.1056 3.1234 3.1454
3.1630
3.1782 3.1787 3.1995 3.2212 3.2244 3.2277 3.2707 3.3000
3.3208
3.3383 3.3466 3.3762 3.3821 3.3918 3.4255 3.4385 3.4633
3.4786
3.4821 3.5123 3.5267 3.5366 3.5621 3.5736 3.5908 3.6040
3.6246
3.6448 3.6664 3.6780 3.6821 3.6933 3.7213 3.7260 3.7445
3.7476
3.7609 3.7731 3.7792 3.7805 3.7955 3.8130 3.8274 3.8302
3.8451
3.8483 3.8835
Writing out eigenvalues/vectors for ikpt= 15.
Occupation numbers for ikpt= 15:
15 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 16
Eigenvalues in Hartrees for ikpt= 16:
16 -0.5186 -0.2446 -0.2446 -0.1969 -0.0980 -0.0299 -0.0299 -0.0016
0.0904
0.0904 0.1042 0.1242 0.1377 0.1377 0.1571 0.1580 0.1639
0.2130
0.2130 0.2488 0.3152 0.3783 0.3993 0.3993 0.4388 0.4388
0.5518
0.5801 0.5927 0.5927 0.6128 0.6758 0.7132 0.7132 0.7583
0.7615
0.7893 0.8204 0.8655 0.8655 0.9166 0.9166 0.9287 0.9971
1.0342
1.0342 1.0656 1.1065 1.1384 1.1384 1.1648 1.1951 1.2757
1.2757
1.3164 1.3484 1.3484 1.3525 1.4361 1.4732 1.4732 1.4970
1.5689
1.6003 1.6003 1.6033 1.6448 1.6448 1.6474 1.6615 1.6653
1.7167
1.7167 1.7277 1.7694 1.7826 1.8157 1.8157 1.8201 1.8286
1.8949
1.9001 1.9100 1.9100 1.9169 1.9383 1.9383 1.9782 2.0049
2.0907
2.0907 2.1003 2.1174 2.1245 2.1245 2.1283 2.1483 2.1703
2.1703
2.2466 2.2686 2.2899 2.2985 2.2985 2.3177 2.3623 2.3766
2.3766
2.3824 2.4047 2.4047 2.4127 2.4127 2.4199 2.4417 2.4463
2.5106
2.5106 2.6214 2.6520 2.6732 2.6753 2.6753 2.6775 2.6775
2.6904
2.7251 2.7251 2.7438 2.7438 2.7519 2.7547 2.8038 2.8038
2.8050
2.8406 2.8793 2.8913 2.9339 2.9352 2.9352 2.9565 2.9565
2.9681
2.9888 2.9888 2.9894 3.0094 3.0693 3.0693 3.0984 3.1209
3.1620
3.1620 3.1708 3.1747 3.2313 3.2775 3.2775 3.3070 3.3357
3.3357
3.3673 3.4449 3.4511 3.4555 3.4555 3.5104 3.5149 3.5149
3.5176
3.5335 3.5335 3.5584 3.6047 3.6047 3.6103 3.6128 3.6307
3.6707
3.6713 3.6713 3.6898 3.7038 3.7076 3.7076 3.7219 3.7264
3.7577
3.7604 3.7604 3.7763 3.7763 3.7800 3.8250 3.8422 3.8422
3.8441
3.8555 3.8826
Writing out eigenvalues/vectors for ikpt= 16.
Occupation numbers for ikpt= 16:
16 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 17
Eigenvalues in Hartrees for ikpt= 17:
17 -0.5164 -0.2485 -0.2485 -0.2277 -0.0515 -0.0302 -0.0302 0.0610
0.0665
0.0665 0.1338 0.1338 0.1379 0.1411 0.1499 0.1499 0.1784
0.1820
0.1820 0.2660 0.2815 0.2815 0.4296 0.4822 0.4888 0.4888
0.4906
0.5560 0.5560 0.5916 0.5916 0.6614 0.7656 0.7712 0.7712
0.7787
0.8077 0.8077 0.8174 0.8248 0.8248 0.9280 0.9280 0.9574
1.0594
1.0924 1.1160 1.1160 1.1532 1.1532 1.2020 1.2269 1.2269
1.3027
1.3686 1.3686 1.3763 1.3763 1.4197 1.4364 1.4364 1.4728
1.4786
1.5465 1.5547 1.5547 1.5931 1.5931 1.5990 1.6747 1.6959
1.6959
1.7076 1.7101 1.7101 1.8037 1.8037 1.8072 1.8846 1.8846
1.9005
1.9385 1.9385 1.9918 2.0172 2.0190 2.0190 2.0588 2.0588
2.0588
2.0834 2.0834 2.0890 2.0890 2.0949 2.1440 2.1440 2.1690
2.1896
2.2079 2.2508 2.2613 2.2692 2.2692 2.3240 2.3292 2.3292
2.3848
2.3892 2.3892 2.4558 2.4600 2.4600 2.4902 2.4902 2.5052
2.5085
2.5085 2.5307 2.5362 2.5362 2.5693 2.5693 2.6033 2.6704
2.7081
2.7081 2.7349 2.7349 2.7389 2.7868 2.7868 2.8266 2.8266
2.8368
2.8625 2.8625 2.8699 2.9331 2.9435 2.9435 2.9578 2.9898
2.9913
2.9913 3.0367 3.1007 3.1007 3.1097 3.1155 3.1155 3.1683
3.1683
3.1830 3.2036 3.2036 3.2386 3.2386 3.2476 3.2861 3.3232
3.3232
3.3524 3.3789 3.3966 3.3966 3.4012 3.4138 3.4280 3.4280
3.4442
3.4484 3.4484 3.5523 3.5523 3.5814 3.6305 3.6368 3.6368
3.6651
3.6651 3.6741 3.7003 3.7003 3.7045 3.7408 3.7408 3.7684
3.7813
3.7813 3.7816 3.8072 3.8072 3.8460 3.8516 3.8516 3.8944
3.8944
3.9106 3.9122
Writing out eigenvalues/vectors for ikpt= 17.
Occupation numbers for ikpt= 17:
17 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 18
Eigenvalues in Hartrees for ikpt= 18:
18 -0.5134 -0.2587 -0.2552 -0.2318 -0.0470 -0.0265 -0.0167 0.0821
0.0823
0.0939 0.1230 0.1243 0.1322 0.1343 0.1495 0.1501 0.1670
0.1680
0.1829 0.2615 0.2790 0.3373 0.4046 0.4685 0.4817 0.4973
0.5087
0.5195 0.5580 0.6158 0.6217 0.6485 0.6916 0.7348 0.7431
0.7704
0.8011 0.8267 0.8348 0.8364 0.8405 0.9540 0.9696 0.9725
0.9785
1.0543 1.1204 1.1295 1.1481 1.1638 1.2017 1.2173 1.2977
1.3065
1.3107 1.3266 1.3748 1.3751 1.4105 1.4315 1.4950 1.5057
1.5089
1.5160 1.5206 1.5698 1.6149 1.6468 1.6481 1.6798 1.7000
1.7083
1.7371 1.7418 1.7431 1.7493 1.8013 1.8204 1.8382 1.8559
1.8806
1.9253 1.9339 1.9533 1.9892 2.0032 2.0263 2.0671 2.0678
2.0849
2.0913 2.1152 2.1163 2.1228 2.1252 2.1318 2.1511 2.1729
2.1920
2.2321 2.2427 2.2576 2.2613 2.2944 2.2995 2.3079 2.3300
2.3511
2.3814 2.4191 2.4299 2.4346 2.4444 2.4714 2.4785 2.4873
2.4933
2.5105 2.5178 2.5912 2.5958 2.5962 2.6067 2.6495 2.6503
2.6629
2.6788 2.6945 2.7074 2.7294 2.7299 2.7468 2.7645 2.7674
2.8104
2.8180 2.8292 2.8642 2.8714 2.8736 2.9050 2.9311 2.9648
2.9903
3.0264 3.0347 3.0705 3.0980 3.0993 3.1367 3.1589 3.1813
3.1884
3.1925 3.2227 3.2307 3.2319 3.2432 3.3132 3.3435 3.3487
3.3650
3.3758 3.3826 3.3842 3.4076 3.4250 3.4450 3.4680 3.4809
3.4907
3.4974 3.4977 3.5746 3.5771 3.5867 3.6041 3.6074 3.6110
3.6228
3.6446 3.6911 3.7285 3.7419 3.7458 3.7500 3.7627 3.7810
3.7819
3.8053 3.8278 3.8345 3.8545 3.8565 3.8661 3.8873 3.9007
3.9106
3.9198 3.9391
Writing out eigenvalues/vectors for ikpt= 18.
Occupation numbers for ikpt= 18:
18 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 19
Eigenvalues in Hartrees for ikpt= 19:
19 -0.5099 -0.2624 -0.2624 -0.2495 -0.0344 0.0016 0.0016 0.0707
0.1032
0.1032 0.1081 0.1265 0.1451 0.1451 0.1485 0.1527 0.1530
0.1647
0.1647 0.2283 0.3035 0.3942 0.4054 0.4054 0.4858 0.4858
0.5241
0.5487 0.5834 0.5964 0.5964 0.6294 0.6736 0.6982 0.6982
0.7798
0.8063 0.8085 0.8085 0.9031 0.9059 0.9059 0.9451 1.0100
1.0100
1.0522 1.1100 1.1287 1.1355 1.1355 1.2323 1.2435 1.2574
1.2692
1.2978 1.2978 1.3634 1.3959 1.3959 1.4574 1.4925 1.4925
1.5208
1.5588 1.6056 1.6056 1.6361 1.6361 1.6602 1.7121 1.7297
1.7311
1.7446 1.7502 1.7502 1.7660 1.7985 1.7985 1.8048 1.8174
1.8805
1.8810 1.8830 1.8830 1.9478 1.9961 2.0296 2.0296 2.0843
2.0843
2.0857 2.1238 2.1238 2.1391 2.1424 2.2020 2.2020 2.2150
2.2219
2.2587 2.2636 2.2636 2.2706 2.3242 2.3582 2.3582 2.3772
2.4059
2.4092 2.4092 2.4198 2.4283 2.4316 2.4335 2.4354 2.4354
2.4899
2.4899 2.5007 2.5078 2.5555 2.5866 2.5866 2.6086 2.6142
2.6631
2.6635 2.6635 2.6639 2.6873 2.6873 2.6878 2.7339 2.7339
2.8011
2.8163 2.8416 2.8558 2.8558 2.8845 2.9048 2.9048 2.9218
2.9482
2.9494 3.0086 3.0086 3.0200 3.1291 3.1871 3.1958 3.2095
3.2110
3.2110 3.2489 3.2489 3.3168 3.3168 3.3356 3.3576 3.3857
3.3857
3.4018 3.4018 3.4160 3.4315 3.4640 3.4840 3.4852 3.5088
3.5088
3.5246 3.5451 3.5451 3.5746 3.6157 3.6266 3.6266 3.6671
3.6698
3.7028 3.7028 3.7070 3.7336 3.7336 3.7526 3.7702 3.7702
3.7702
3.7722 3.8012 3.8012 3.8515 3.8524 3.8801 3.9086 3.9126
3.9186
3.9385 3.9408
Writing out eigenvalues/vectors for ikpt= 19.
Occupation numbers for ikpt= 19:
19 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
-P-0000
-P-0000 k-point 20
Eigenvalues in Hartrees for ikpt= 20:
20 -0.5050 -0.2701 -0.2701 -0.2701 0.0214 0.0214 0.0214 0.1049
0.1049
0.1049 0.1103 0.1103 0.1412 0.1416 0.1416 0.1416 0.1503
0.1503
0.1503 0.1853 0.4054 0.4054 0.4079 0.4079 0.4079 0.5211
0.5211
0.5211 0.5884 0.5884 0.5884 0.5949 0.6726 0.6726 0.6726
0.8160
0.8160 0.8160 0.8314 0.8554 0.8554 0.8554 1.0671 1.0671
1.0671
1.1175 1.1175 1.1413 1.1413 1.1668 1.1668 1.1668 1.1741
1.1741
1.1741 1.3614 1.3819 1.4424 1.4424 1.4424 1.5309 1.5309
1.5309
1.5906 1.5906 1.5906 1.6684 1.6684 1.7277 1.7277 1.7480
1.7480
1.7480 1.7970 1.7970 1.7970 1.8042 1.8042 1.8042 1.8155
1.8172
1.8172 1.8172 1.8525 1.8715 1.8715 1.8715 2.0542 2.0542
2.0542
2.0755 2.1569 2.1876 2.1876 2.1876 2.2701 2.2701 2.2701
2.3211
2.3211 2.3547 2.3547 2.3547 2.4172 2.4172 2.4172 2.4210
2.4210
2.4238 2.4238 2.4238 2.4389 2.4389 2.4389 2.4438 2.4438
2.4603
2.4646 2.4646 2.4646 2.5087 2.5087 2.5087 2.5426 2.5631
2.5631
2.5631 2.5692 2.5817 2.5817 2.5817 2.6103 2.6103 2.6399
2.6399
2.6399 2.8258 2.9412 2.9412 2.9412 2.9609 2.9609 2.9609
3.0778
3.0778 3.0778 3.1215 3.1215 3.1633 3.1633 3.1633 3.1733
3.1733
3.1733 3.1755 3.1755 3.1870 3.1870 3.1870 3.1914 3.5218
3.5278
3.5278 3.5278 3.5297 3.5297 3.5334 3.5334 3.5334 3.5546
3.5546
3.5546 3.6263 3.6263 3.6263 3.6735 3.6735 3.6962 3.7108
3.7108
3.7108 3.7388 3.7388 3.7388 3.7417 3.7417 3.7417 3.7475
3.7475
3.7475 3.7874 3.7874 3.7874 3.7876 3.7876 3.7876 3.8668
3.8668
3.8668 3.8745
Writing out eigenvalues/vectors for ikpt= 20.
Occupation numbers for ikpt= 20:
20 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.0000
0.0000 0.0000
Test on the normalization of the wavefunctions
min sum_G |a(n,k,G)| = 0.000000
max sum_G |a(n,k,G)| = 1.000000
Test on the orthogonalization of the wavefunctions
min sum_G a(n,k,G)* a(n',k,G) = 0.000000
max sum_G a(n,k,G)* a(n',k,G) = 0.000000
-P-0000 leave_test : synchronization done...
Closing file
-P-0000 leave_test : synchronization done...
================================================================================
----iterations are completed or convergence reached----
outwf : write wavefunction to file testo_DS1_WFK
-P-0000 leave_test : synchronization done...
Cartesian components of stress tensor (hartree/bohr^3)
sigma(1 1)= -8.42469144E-06 sigma(3 2)= 0.00000000E+00
sigma(2 2)= -8.42469144E-06 sigma(3 1)= 0.00000000E+00
sigma(3 3)= -8.42469144E-06 sigma(2 1)= 0.00000000E+00
-Cartesian components of stress tensor (GPa) [Pressure= 2.4786E-01
GPa]
- sigma(1 1)= -2.47862947E-01 sigma(3 2)= 0.00000000E+00
- sigma(2 2)= -2.47862947E-01 sigma(3 1)= 0.00000000E+00
- sigma(3 3)= -2.47862947E-01 sigma(2 1)= 0.00000000E+00
gstate : exiting
driver : after respfn
driver : 0
driver : 1
driver : 2
-P-0000
-P-0000
================================================================================
-P-0000 == DATASET 2
==================================================================
-P-0000
dtsetcopy : copying area algalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area bdgw the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area istwfk the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kberry the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area nband the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : allocated densty= T
dtsetcopy : copying area kpt the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kptgw the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area kptns the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area occ_orig the actual size ( ) of the index
( ) differs from its standard size (Ð )
dtsetcopy : copying area shiftk the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area wtk the actual size ( ) of the index
( ) differs from its standard size (
)
mkfilename : getkss/=0, take file _KSS from output of DATASET 1.
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
SCREENING: Calculation of the susceptibility and dielectric matrices
Based on a program developped by R.W. Godby, V. Olevano, G. Onida, and L.
Reining.
Incorporated in ABINIT by V. Olevano, G.-M. Rignanese, and M. Torrent.
GW calculation type = 0
length of a real on this machine 8 ; dp= 8
zcut for avoiding poles in chi0 [eV] 0.100000
Unit cell volume ucvol= 4.7774989E+02 bohr^3
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
setshells : ecut_trial= 10.00
setshells: WARNING -
The value ecutwfn= 0.100000E+02 given in the input file leads to
the same values for nshwfn and npwwfn as ecutwfn= 0.968985E+01
This value will be adopted for the calculation.
setshells : ecut_trial= 10.00
setshells: WARNING -
The value ecuteps= 0.100000E+02 given in the input file leads to
the same values for nsheps and npweps as ecuteps= 0.968985E+01
This value will be adopted for the calculation.
testlda : testing Kohn-Sham structure file testo_DS1_KSS
-----------------------------------------------
KSS abinit double precision form
generated by ABINIT 5.4.4 header version 53
title of file:
Results from ABINIT code
Ab-initio plane waves calculation
number of atomic species 2
number of atoms 2
number of ang mom components 4
number of symmetry operations 24
number of plane waves 4801
number of k-points 20
number of bands 200
number of spin polarisations 1
-----------------------------------------------
testlda : WARNING - the code does not use the original set of symmetries :
hdr%nsym/=nsym2
-P-0000
-P-0000 screening : maximum band index for partially occupied states nbvw =
0 nbcw = 200
-P-0000
initmpi_gw : loop on k-points and spin done in parallel
rdkss : reading Kohn-Sham structure file testo_DS1_KSS
Kohn Sham Structure double precision file
===============================================================================
ECHO of the ABINIT file header
First record :
.codvsn,headform,fform = 5.4.4 53 502
Second record :
bantot,intxc,ixc,natom = 600 0 7 2
ngfft(1:3),nkpt = 40 40 40 20
nspden,nspinor = 1 1
nsppol,nsym,npsp,ntypat = 1 48 2 2
occopt,pertcase,usepaw = 1 0 0
ecut,ecutdg,ecutsm = 3.0000000000E+01 3.0000000000E+01
0.0000000000E+00
ecut_eff = 3.0000000000E+01
qptn(1:3) = 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00
rprimd(1:3,1) = 7.8174815480E+00 0.0000000000E+00
0.0000000000E+00
rprimd(1:3,2) = 0.0000000000E+00 7.8174815480E+00
0.0000000000E+00
rprimd(1:3,3) = 0.0000000000E+00 0.0000000000E+00
7.8174815480E+00
stmbias,tphysel,tsmear = 0.0000000000E+00 0.0000000000E+00
4.0000000000E-02
Third record :
istwfk= 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
nband = 30 30 30 30 30 30 30 30 30 30 30 30
30 30 30 30 30 30 30 30
npwarr= 3743 3779 3755 3764 3757 3757 3732 3744 3742 3724
3761 3755 3746 3742 3750 3748 3734 3754 3736 3840
so_psp= 1 1
symafm=
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1
symrel=
1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0
0 -1
-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0
0 1
-1 0 0 0 -1 0 0 0 1 1 0 0 0 1 0 0
0 -1
1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0
0 1
0 1 0 1 0 0 0 0 1 0 -1 0 -1 0 0 0
0 -1
0 -1 0 1 0 0 0 0 -1 0 1 0 -1 0 0 0
0 1
0 -1 0 -1 0 0 0 0 1 0 1 0 1 0 0 0
0 -1
0 1 0 -1 0 0 0 0 -1 0 -1 0 1 0 0 0
0 1
0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0
-1 0
0 0 -1 1 0 0 0 -1 0 0 0 1 -1 0 0 0
1 0
0 0 -1 -1 0 0 0 1 0 0 0 1 1 0 0 0
-1 0
0 0 1 -1 0 0 0 -1 0 0 0 -1 1 0 0 0
1 0
1 0 0 0 0 1 0 1 0 -1 0 0 0 0 -1 0
-1 0
-1 0 0 0 0 1 0 -1 0 1 0 0 0 0 -1 0
1 0
-1 0 0 0 0 -1 0 1 0 1 0 0 0 0 1 0
-1 0
1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 1 0
1 0
0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 -1
0 0
0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 -1 1
0 0
0 -1 0 0 0 -1 1 0 0 0 1 0 0 0 1 -1
0 0
0 1 0 0 0 -1 -1 0 0 0 -1 0 0 0 1 1
0 0
0 0 1 0 1 0 1 0 0 0 0 -1 0 -1 0 -1
0 0
0 0 -1 0 1 0 -1 0 0 0 0 1 0 -1 0 1
0 0
0 0 -1 0 -1 0 1 0 0 0 0 1 0 1 0 -1
0 0
0 0 1 0 -1 0 -1 0 0 0 0 -1 0 1 0 1
0 0
type = 1 2
kptns = (max 50 k-points will be written)
0.000000E+00 0.000000E+00 0.000000E+00
1.666667E-01 0.000000E+00 0.000000E+00
3.333333E-01 0.000000E+00 0.000000E+00
5.000000E-01 0.000000E+00 0.000000E+00
1.666667E-01 1.666667E-01 0.000000E+00
3.333333E-01 1.666667E-01 0.000000E+00
5.000000E-01 1.666667E-01 0.000000E+00
3.333333E-01 3.333333E-01 0.000000E+00
5.000000E-01 3.333333E-01 0.000000E+00
5.000000E-01 5.000000E-01 0.000000E+00
1.666667E-01 1.666667E-01 1.666667E-01
3.333333E-01 1.666667E-01 1.666667E-01
5.000000E-01 1.666667E-01 1.666667E-01
3.333333E-01 3.333333E-01 1.666667E-01
5.000000E-01 3.333333E-01 1.666667E-01
5.000000E-01 5.000000E-01 1.666667E-01
3.333333E-01 3.333333E-01 3.333333E-01
5.000000E-01 3.333333E-01 3.333333E-01
5.000000E-01 5.000000E-01 3.333333E-01
5.000000E-01 5.000000E-01 5.000000E-01
wtk =
0.00 0.03 0.03 0.01 0.06 0.11 0.06 0.06 0.06 0.01
0.04 0.11 0.06 0.11 0.11 0.03 0.04 0.06 0.03 0.00
occ =
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
tnons =
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
znucl= 56.00 52.00
Pseudopotential info :
title=barium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 0 local
znuclpsp= 56.00, zionpsp= 2.00, pspso= 0, pspdat= 11001, pspcod= 6,
pspxc= 7
lmnmax = 4
title=tellurium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 0 local
znuclpsp= 52.00, zionpsp= 6.00, pspso= 0, pspdat= 11001, pspcod= 6,
pspxc= 7
lmnmax = 4
Last record :
residm,etot,fermie= 3.623280E-05 -9.727535818308E+00 -1.508658E-01
xred =
0.000000E+00 0.000000E+00 0.000000E+00
5.000000E-01 5.000000E-01 5.000000E-01
End the ECHO of the ABINIT file header
===============================================================================
Results from ABINIT code
Ab-initio plane waves calculation
number of electrons 8
number of symmetries without inversion 24
number of bands 200
number of plane waves 4801
number of shells 160
maximum angular momentum for PSPs+1 4
Symmorphic Space group :
Rotations Translations
1 0 0 0 1 0 0 0 1 0.0000000 0.0000000 0.0000000
-1 0 0 0 1 0 0 0 -1 0.0000000 0.0000000 0.0000000
-1 0 0 0 -1 0 0 0 1 0.0000000 0.0000000 0.0000000
1 0 0 0 -1 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 -1 0 -1 0 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 1 0 -1 0 0 0 0 1 0.0000000 0.0000000 0.0000000
0 1 0 1 0 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 -1 0 1 0 0 0 0 1 0.0000000 0.0000000 0.0000000
0 0 1 1 0 0 0 1 0 0.0000000 0.0000000 0.0000000
0 0 -1 1 0 0 0 -1 0 0.0000000 0.0000000 0.0000000
0 0 -1 -1 0 0 0 1 0 0.0000000 0.0000000 0.0000000
0 0 1 -1 0 0 0 -1 0 0.0000000 0.0000000 0.0000000
-1 0 0 0 0 -1 0 -1 0 0.0000000 0.0000000 0.0000000
1 0 0 0 0 -1 0 1 0 0.0000000 0.0000000 0.0000000
1 0 0 0 0 1 0 -1 0 0.0000000 0.0000000 0.0000000
-1 0 0 0 0 1 0 1 0 0.0000000 0.0000000 0.0000000
0 1 0 0 0 1 1 0 0 0.0000000 0.0000000 0.0000000
0 -1 0 0 0 1 -1 0 0 0.0000000 0.0000000 0.0000000
0 -1 0 0 0 -1 1 0 0 0.0000000 0.0000000 0.0000000
0 1 0 0 0 -1 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 -1 0 -1 0 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 1 0 -1 0 1 0 0 0.0000000 0.0000000 0.0000000
0 0 1 0 1 0 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 -1 0 1 0 1 0 0 0.0000000 0.0000000 0.0000000
shell limit G-vectors [reduced coordinates]
1 1 1 ( 0 0 0)
2 7 2 ( -1 0 0) 3 ( 1 0 0) 4 ( 0 1 0) 5 ( 0 -1
0)
6 ( 0 0 -1) 7 ( 0 0 1)
3 19 8 ( -1 -1 0) 9 ( 1 1 0) 10 ( 1 -1 0) 11 ( -1 1
0)
12 ( 0 -1 -1) 13 ( 0 1 1) 14 ( 0 -1 1) 15 ( 0 1
-1)
16 ( 1 0 1) 17 ( -1 0 -1) 18 ( -1 0 1) 19 ( 1 0
-1)
4 27 20 ( -1 -1 -1) 21 ( 1 1 1) 22 ( 1 -1 1) 23 ( -1 1
-1)
24 ( 1 1 -1) 25 ( -1 -1 1) 26 ( -1 1 1) 27 ( 1 -1
-1)
5 33 28 ( -2 0 0) 29 ( 2 0 0) 30 ( 0 2 0) 31 ( 0 -2
0)
32 ( 0 0 -2) 33 ( 0 0 2)
6 57 34 ( -2 -1 0) 35 ( 2 1 0) 36 ( 2 -1 0) 37 ( -2 1
0)
38 ( 1 2 0) 39 ( -1 -2 0) 40 ( -1 2 0) 41 ( 1 -2
0)
42 ( 0 -2 -1) 43 ( 0 2 1) 44 ( 0 -2 1) 45 ( 0 2
-1)
46 ( 2 0 1) 47 ( -2 0 -1) 48 ( -2 0 1) 49 ( 2 0
-1)
50 ( -1 0 -2) 51 ( 1 0 2) 52 ( 1 0 -2) 53 ( -1 0
2)
54 ( 0 1 2) 55 ( 0 -1 -2) 56 ( 0 1 -2) 57 ( 0 -1
2)
7 81 58 ( -2 -1 -1) 59 ( 2 1 1) 60 ( 2 -1 1) 61 ( -2 1
-1)
62 ( 2 1 -1) 63 ( -2 -1 1) 64 ( -2 1 1) 65 ( 2 -1
-1)
66 ( 1 2 1) 67 ( -1 -2 -1) 68 ( -1 2 -1) 69 ( 1 -2
1)
70 ( -1 -2 1) 71 ( 1 2 -1) 72 ( 1 -2 -1) 73 ( -1 2
1)
74 ( -1 -1 -2) 75 ( 1 1 2) 76 ( 1 -1 2) 77 ( -1 1
-2)
78 ( 1 1 -2) 79 ( -1 -1 2) 80 ( -1 1 2) 81 ( 1 -1
-2)
8 93 82 ( -2 -2 0) 83 ( 2 2 0) 84 ( 2 -2 0) 85 ( -2 2
0)
86 ( 0 -2 -2) 87 ( 0 2 2) 88 ( 0 -2 2) 89 ( 0 2
-2)
90 ( 2 0 2) 91 ( -2 0 -2) 92 ( -2 0 2) 93 ( 2 0
-2)
9 99 94 ( -3 0 0) 95 ( 3 0 0) 96 ( 0 3 0) 97 ( 0 -3
0)
98 ( 0 0 -3) 99 ( 0 0 3)
10 123 100 ( -2 -2 -1) 101 ( 2 2 1) 102 ( 2 -2 1) 103 ( -2 2
-1)
104 ( 2 2 -1) 105 ( -2 -2 1) 106 ( -2 2 1) 107 ( 2 -2
-1)
108 ( -1 -2 -2) 109 ( 1 2 2) 110 ( 1 -2 2) 111 ( -1 2
-2)
112 ( 1 2 -2) 113 ( -1 -2 2) 114 ( -1 2 2) 115 ( 1 -2
-2)
116 ( 2 1 2) 117 ( -2 -1 -2) 118 ( -2 1 -2) 119 ( 2 -1
2)
120 ( -2 -1 2) 121 ( 2 1 -2) 122 ( 2 -1 -2) 123 ( -2 1
2)
11 147 124 ( -3 -1 0) 125 ( 3 1 0) 126 ( 3 -1 0) 127 ( -3 1
0)
128 ( 1 3 0) 129 ( -1 -3 0) 130 ( -1 3 0) 131 ( 1 -3
0)
132 ( 0 -3 -1) 133 ( 0 3 1) 134 ( 0 -3 1) 135 ( 0 3
-1)
136 ( 3 0 1) 137 ( -3 0 -1) 138 ( -3 0 1) 139 ( 3 0
-1)
140 ( -1 0 -3) 141 ( 1 0 3) 142 ( 1 0 -3) 143 ( -1 0
3)
144 ( 0 1 3) 145 ( 0 -1 -3) 146 ( 0 1 -3) 147 ( 0 -1
3)
12 171 148 ( -3 -1 -1) 149 ( 3 1 1) 150 ( 3 -1 1) 151 ( -3 1
-1)
152 ( 3 1 -1) 153 ( -3 -1 1) 154 ( -3 1 1) 155 ( 3 -1
-1)
156 ( 1 3 1) 157 ( -1 -3 -1) 158 ( -1 3 -1) 159 ( 1 -3
1)
160 ( -1 -3 1) 161 ( 1 3 -1) 162 ( 1 -3 -1) 163 ( -1 3
1)
164 ( -1 -1 -3) 165 ( 1 1 3) 166 ( 1 -1 3) 167 ( -1 1
-3)
168 ( 1 1 -3) 169 ( -1 -1 3) 170 ( -1 1 3) 171 ( 1 -1
-3)
13 179 172 ( -2 -2 -2) 173 ( 2 2 2) 174 ( 2 -2 2) 175 ( -2 2
-2)
176 ( 2 2 -2) 177 ( -2 -2 2) 178 ( -2 2 2) 179 ( 2 -2
-2)
14 203 180 ( -3 -2 0) 181 ( 3 2 0) 182 ( 3 -2 0) 183 ( -3 2
0)
184 ( 2 3 0) 185 ( -2 -3 0) 186 ( -2 3 0) 187 ( 2 -3
0)
188 ( 0 -3 -2) 189 ( 0 3 2) 190 ( 0 -3 2) 191 ( 0 3
-2)
192 ( 3 0 2) 193 ( -3 0 -2) 194 ( -3 0 2) 195 ( 3 0
-2)
196 ( -2 0 -3) 197 ( 2 0 3) 198 ( 2 0 -3) 199 ( -2 0
3)
200 ( 0 2 3) 201 ( 0 -2 -3) 202 ( 0 2 -3) 203 ( 0 -2
3)
15 251 204 ( -3 -2 -1) 205 ( 3 2 1) 206 ( 3 -2 1) 207 ( -3 2
-1)
208 ( 3 2 -1) 209 ( -3 -2 1) 210 ( -3 2 1) 211 ( 3 -2
-1)
212 ( 2 3 1) 213 ( -2 -3 -1) 214 ( -2 3 -1) 215 ( 2 -3
1)
216 ( -2 -3 1) 217 ( 2 3 -1) 218 ( 2 -3 -1) 219 ( -2 3
1)
220 ( -1 -3 -2) 221 ( 1 3 2) 222 ( 1 -3 2) 223 ( -1 3
-2)
224 ( 1 3 -2) 225 ( -1 -3 2) 226 ( -1 3 2) 227 ( 1 -3
-2)
228 ( 3 1 2) 229 ( -3 -1 -2) 230 ( -3 1 -2) 231 ( 3 -1
2)
232 ( -3 -1 2) 233 ( 3 1 -2) 234 ( 3 -1 -2) 235 ( -3 1
2)
236 ( -2 -1 -3) 237 ( 2 1 3) 238 ( 2 -1 3) 239 ( -2 1
-3)
240 ( 2 1 -3) 241 ( -2 -1 3) 242 ( -2 1 3) 243 ( 2 -1
-3)
244 ( 1 2 3) 245 ( -1 -2 -3) 246 ( -1 2 -3) 247 ( 1 -2
3)
248 ( -1 -2 3) 249 ( 1 2 -3) 250 ( 1 -2 -3) 251 ( -1 2
3)
16 257 252 ( -4 0 0) 253 ( 4 0 0) 254 ( 0 4 0) 255 ( 0 -4
0)
256 ( 0 0 -4) 257 ( 0 0 4)
17 281 258 ( -4 -1 0) 259 ( 4 1 0) 260 ( 4 -1 0) 261 ( -4 1
0)
262 ( 1 4 0) 263 ( -1 -4 0) 264 ( -1 4 0) 265 ( 1 -4
0)
266 ( 0 -4 -1) 267 ( 0 4 1) 268 ( 0 -4 1) 269 ( 0 4
-1)
270 ( 4 0 1) 271 ( -4 0 -1) 272 ( -4 0 1) 273 ( 4 0
-1)
274 ( -1 0 -4) 275 ( 1 0 4) 276 ( 1 0 -4) 277 ( -1 0
4)
278 ( 0 1 4) 279 ( 0 -1 -4) 280 ( 0 1 -4) 281 ( 0 -1
4)
18 305 282 ( -3 -2 -2) 283 ( 3 2 2) 284 ( 3 -2 2) 285 ( -3 2
-2)
286 ( 3 2 -2) 287 ( -3 -2 2) 288 ( -3 2 2) 289 ( 3 -2
-2)
290 ( 2 3 2) 291 ( -2 -3 -2) 292 ( -2 3 -2) 293 ( 2 -3
2)
294 ( -2 -3 2) 295 ( 2 3 -2) 296 ( 2 -3 -2) 297 ( -2 3
2)
298 ( -2 -2 -3) 299 ( 2 2 3) 300 ( 2 -2 3) 301 ( -2 2
-3)
302 ( 2 2 -3) 303 ( -2 -2 3) 304 ( -2 2 3) 305 ( 2 -2
-3)
19 317 306 ( -3 -3 0) 307 ( 3 3 0) 308 ( 3 -3 0) 309 ( -3 3
0)
310 ( 0 -3 -3) 311 ( 0 3 3) 312 ( 0 -3 3) 313 ( 0 3
-3)
314 ( 3 0 3) 315 ( -3 0 -3) 316 ( -3 0 3) 317 ( 3 0
-3)
20 341 318 ( -4 -1 -1) 319 ( 4 1 1) 320 ( 4 -1 1) 321 ( -4 1
-1)
322 ( 4 1 -1) 323 ( -4 -1 1) 324 ( -4 1 1) 325 ( 4 -1
-1)
326 ( 1 4 1) 327 ( -1 -4 -1) 328 ( -1 4 -1) 329 ( 1 -4
1)
330 ( -1 -4 1) 331 ( 1 4 -1) 332 ( 1 -4 -1) 333 ( -1 4
1)
334 ( -1 -1 -4) 335 ( 1 1 4) 336 ( 1 -1 4) 337 ( -1 1
-4)
338 ( 1 1 -4) 339 ( -1 -1 4) 340 ( -1 1 4) 341 ( 1 -1
-4)
21 365 342 ( -3 -3 -1) 343 ( 3 3 1) 344 ( 3 -3 1) 345 ( -3 3
-1)
346 ( 3 3 -1) 347 ( -3 -3 1) 348 ( -3 3 1) 349 ( 3 -3
-1)
350 ( -1 -3 -3) 351 ( 1 3 3) 352 ( 1 -3 3) 353 ( -1 3
-3)
354 ( 1 3 -3) 355 ( -1 -3 3) 356 ( -1 3 3) 357 ( 1 -3
-3)
358 ( 3 1 3) 359 ( -3 -1 -3) 360 ( -3 1 -3) 361 ( 3 -1
3)
362 ( -3 -1 3) 363 ( 3 1 -3) 364 ( 3 -1 -3) 365 ( -3 1
3)
22 389 366 ( -4 -2 0) 367 ( 4 2 0) 368 ( 4 -2 0) 369 ( -4 2
0)
370 ( 2 4 0) 371 ( -2 -4 0) 372 ( -2 4 0) 373 ( 2 -4
0)
374 ( 0 -4 -2) 375 ( 0 4 2) 376 ( 0 -4 2) 377 ( 0 4
-2)
378 ( 4 0 2) 379 ( -4 0 -2) 380 ( -4 0 2) 381 ( 4 0
-2)
382 ( -2 0 -4) 383 ( 2 0 4) 384 ( 2 0 -4) 385 ( -2 0
4)
386 ( 0 2 4) 387 ( 0 -2 -4) 388 ( 0 2 -4) 389 ( 0 -2
4)
23 437 390 ( -4 -2 -1) 391 ( 4 2 1) 392 ( 4 -2 1) 393 ( -4 2
-1)
394 ( 4 2 -1) 395 ( -4 -2 1) 396 ( -4 2 1) 397 ( 4 -2
-1)
398 ( 2 4 1) 399 ( -2 -4 -1) 400 ( -2 4 -1) 401 ( 2 -4
1)
402 ( -2 -4 1) 403 ( 2 4 -1) 404 ( 2 -4 -1) 405 ( -2 4
1)
406 ( -1 -4 -2) 407 ( 1 4 2) 408 ( 1 -4 2) 409 ( -1 4
-2)
410 ( 1 4 -2) 411 ( -1 -4 2) 412 ( -1 4 2) 413 ( 1 -4
-2)
414 ( 4 1 2) 415 ( -4 -1 -2) 416 ( -4 1 -2) 417 ( 4 -1
2)
418 ( -4 -1 2) 419 ( 4 1 -2) 420 ( 4 -1 -2) 421 ( -4 1
2)
422 ( -2 -1 -4) 423 ( 2 1 4) 424 ( 2 -1 4) 425 ( -2 1
-4)
426 ( 2 1 -4) 427 ( -2 -1 4) 428 ( -2 1 4) 429 ( 2 -1
-4)
430 ( 1 2 4) 431 ( -1 -2 -4) 432 ( -1 2 -4) 433 ( 1 -2
4)
434 ( -1 -2 4) 435 ( 1 2 -4) 436 ( 1 -2 -4) 437 ( -1 2
4)
24 461 438 ( -3 -3 -2) 439 ( 3 3 2) 440 ( 3 -3 2) 441 ( -3 3
-2)
442 ( 3 3 -2) 443 ( -3 -3 2) 444 ( -3 3 2) 445 ( 3 -3
-2)
446 ( -2 -3 -3) 447 ( 2 3 3) 448 ( 2 -3 3) 449 ( -2 3
-3)
450 ( 2 3 -3) 451 ( -2 -3 3) 452 ( -2 3 3) 453 ( 2 -3
-3)
454 ( 3 2 3) 455 ( -3 -2 -3) 456 ( -3 2 -3) 457 ( 3 -2
3)
458 ( -3 -2 3) 459 ( 3 2 -3) 460 ( 3 -2 -3) 461 ( -3 2
3)
25 485 462 ( -4 -2 -2) 463 ( 4 2 2) 464 ( 4 -2 2) 465 ( -4 2
-2)
466 ( 4 2 -2) 467 ( -4 -2 2) 468 ( -4 2 2) 469 ( 4 -2
-2)
470 ( 2 4 2) 471 ( -2 -4 -2) 472 ( -2 4 -2) 473 ( 2 -4
2)
474 ( -2 -4 2) 475 ( 2 4 -2) 476 ( 2 -4 -2) 477 ( -2 4
2)
478 ( -2 -2 -4) 479 ( 2 2 4) 480 ( 2 -2 4) 481 ( -2 2
-4)
482 ( 2 2 -4) 483 ( -2 -2 4) 484 ( -2 2 4) 485 ( 2 -2
-4)
26 491 486 ( -5 0 0) 487 ( 5 0 0) 488 ( 0 5 0) 489 ( 0 -5
0)
490 ( 0 0 -5) 491 ( 0 0 5)
27 515 492 ( -4 -3 0) 493 ( 4 3 0) 494 ( 4 -3 0) 495 ( -4 3
0)
496 ( 3 4 0) 497 ( -3 -4 0) 498 ( -3 4 0) 499 ( 3 -4
0)
500 ( 0 -4 -3) 501 ( 0 4 3) 502 ( 0 -4 3) 503 ( 0 4
-3)
504 ( 4 0 3) 505 ( -4 0 -3) 506 ( -4 0 3) 507 ( 4 0
-3)
508 ( -3 0 -4) 509 ( 3 0 4) 510 ( 3 0 -4) 511 ( -3 0
4)
512 ( 0 3 4) 513 ( 0 -3 -4) 514 ( 0 3 -4) 515 ( 0 -3
4)
28 539 516 ( -5 -1 0) 517 ( 5 1 0) 518 ( 5 -1 0) 519 ( -5 1
0)
520 ( 1 5 0) 521 ( -1 -5 0) 522 ( -1 5 0) 523 ( 1 -5
0)
524 ( 0 -5 -1) 525 ( 0 5 1) 526 ( 0 -5 1) 527 ( 0 5
-1)
528 ( 5 0 1) 529 ( -5 0 -1) 530 ( -5 0 1) 531 ( 5 0
-1)
532 ( -1 0 -5) 533 ( 1 0 5) 534 ( 1 0 -5) 535 ( -1 0
5)
536 ( 0 1 5) 537 ( 0 -1 -5) 538 ( 0 1 -5) 539 ( 0 -1
5)
29 587 540 ( -4 -3 -1) 541 ( 4 3 1) 542 ( 4 -3 1) 543 ( -4 3
-1)
544 ( 4 3 -1) 545 ( -4 -3 1) 546 ( -4 3 1) 547 ( 4 -3
-1)
548 ( 3 4 1) 549 ( -3 -4 -1) 550 ( -3 4 -1) 551 ( 3 -4
1)
552 ( -3 -4 1) 553 ( 3 4 -1) 554 ( 3 -4 -1) 555 ( -3 4
1)
556 ( -1 -4 -3) 557 ( 1 4 3) 558 ( 1 -4 3) 559 ( -1 4
-3)
560 ( 1 4 -3) 561 ( -1 -4 3) 562 ( -1 4 3) 563 ( 1 -4
-3)
564 ( 4 1 3) 565 ( -4 -1 -3) 566 ( -4 1 -3) 567 ( 4 -1
3)
568 ( -4 -1 3) 569 ( 4 1 -3) 570 ( 4 -1 -3) 571 ( -4 1
3)
572 ( -3 -1 -4) 573 ( 3 1 4) 574 ( 3 -1 4) 575 ( -3 1
-4)
576 ( 3 1 -4) 577 ( -3 -1 4) 578 ( -3 1 4) 579 ( 3 -1
-4)
580 ( 1 3 4) 581 ( -1 -3 -4) 582 ( -1 3 -4) 583 ( 1 -3
4)
584 ( -1 -3 4) 585 ( 1 3 -4) 586 ( 1 -3 -4) 587 ( -1 3
4)
30 611 588 ( -5 -1 -1) 589 ( 5 1 1) 590 ( 5 -1 1) 591 ( -5 1
-1)
592 ( 5 1 -1) 593 ( -5 -1 1) 594 ( -5 1 1) 595 ( 5 -1
-1)
596 ( 1 5 1) 597 ( -1 -5 -1) 598 ( -1 5 -1) 599 ( 1 -5
1)
600 ( -1 -5 1) 601 ( 1 5 -1) 602 ( 1 -5 -1) 603 ( -1 5
1)
604 ( -1 -1 -5) 605 ( 1 1 5) 606 ( 1 -1 5) 607 ( -1 1
-5)
608 ( 1 1 -5) 609 ( -1 -1 5) 610 ( -1 1 5) 611 ( 1 -1
-5)
31 619 612 ( -3 -3 -3) 613 ( 3 3 3) 614 ( 3 -3 3) 615 ( -3 3
-3)
616 ( 3 3 -3) 617 ( -3 -3 3) 618 ( -3 3 3) 619 ( 3 -3
-3)
32 643 620 ( -5 -2 0) 621 ( 5 2 0) 622 ( 5 -2 0) 623 ( -5 2
0)
624 ( 2 5 0) 625 ( -2 -5 0) 626 ( -2 5 0) 627 ( 2 -5
0)
628 ( 0 -5 -2) 629 ( 0 5 2) 630 ( 0 -5 2) 631 ( 0 5
-2)
632 ( 5 0 2) 633 ( -5 0 -2) 634 ( -5 0 2) 635 ( 5 0
-2)
636 ( -2 0 -5) 637 ( 2 0 5) 638 ( 2 0 -5) 639 ( -2 0
5)
640 ( 0 2 5) 641 ( 0 -2 -5) 642 ( 0 2 -5) 643 ( 0 -2
5)
33 691 644 ( -4 -3 -2) 645 ( 4 3 2) 646 ( 4 -3 2) 647 ( -4 3
-2)
648 ( 4 3 -2) 649 ( -4 -3 2) 650 ( -4 3 2) 651 ( 4 -3
-2)
652 ( 3 4 2) 653 ( -3 -4 -2) 654 ( -3 4 -2) 655 ( 3 -4
2)
656 ( -3 -4 2) 657 ( 3 4 -2) 658 ( 3 -4 -2) 659 ( -3 4
2)
660 ( -2 -4 -3) 661 ( 2 4 3) 662 ( 2 -4 3) 663 ( -2 4
-3)
664 ( 2 4 -3) 665 ( -2 -4 3) 666 ( -2 4 3) 667 ( 2 -4
-3)
668 ( 4 2 3) 669 ( -4 -2 -3) 670 ( -4 2 -3) 671 ( 4 -2
3)
672 ( -4 -2 3) 673 ( 4 2 -3) 674 ( 4 -2 -3) 675 ( -4 2
3)
676 ( -3 -2 -4) 677 ( 3 2 4) 678 ( 3 -2 4) 679 ( -3 2
-4)
680 ( 3 2 -4) 681 ( -3 -2 4) 682 ( -3 2 4) 683 ( 3 -2
-4)
684 ( 2 3 4) 685 ( -2 -3 -4) 686 ( -2 3 -4) 687 ( 2 -3
4)
688 ( -2 -3 4) 689 ( 2 3 -4) 690 ( 2 -3 -4) 691 ( -2 3
4)
34 739 692 ( -5 -2 -1) 693 ( 5 2 1) 694 ( 5 -2 1) 695 ( -5 2
-1)
696 ( 5 2 -1) 697 ( -5 -2 1) 698 ( -5 2 1) 699 ( 5 -2
-1)
700 ( 2 5 1) 701 ( -2 -5 -1) 702 ( -2 5 -1) 703 ( 2 -5
1)
704 ( -2 -5 1) 705 ( 2 5 -1) 706 ( 2 -5 -1) 707 ( -2 5
1)
708 ( -1 -5 -2) 709 ( 1 5 2) 710 ( 1 -5 2) 711 ( -1 5
-2)
712 ( 1 5 -2) 713 ( -1 -5 2) 714 ( -1 5 2) 715 ( 1 -5
-2)
716 ( 5 1 2) 717 ( -5 -1 -2) 718 ( -5 1 -2) 719 ( 5 -1
2)
720 ( -5 -1 2) 721 ( 5 1 -2) 722 ( 5 -1 -2) 723 ( -5 1
2)
724 ( -2 -1 -5) 725 ( 2 1 5) 726 ( 2 -1 5) 727 ( -2 1
-5)
728 ( 2 1 -5) 729 ( -2 -1 5) 730 ( -2 1 5) 731 ( 2 -1
-5)
732 ( 1 2 5) 733 ( -1 -2 -5) 734 ( -1 2 -5) 735 ( 1 -2
5)
736 ( -1 -2 5) 737 ( 1 2 -5) 738 ( 1 -2 -5) 739 ( -1 2
5)
35 751
36 775
37 799
38 823
39 847
40 895
41 901
42 925
43 949
44 973
45 1021
46 1045
47 1069
48 1117
49 1141
50 1189
51 1213
52 1237
53 1261
54 1309
55 1357
56 1365
57 1371
58 1419
59 1443
60 1455
61 1503
62 1527
63 1551
64 1575
65 1599
66 1647
67 1695
68 1719
69 1743
70 1791
71 1815
72 1839
73 1863
74 1911
75 1935
76 1959
77 2007
78 2055
79 2103
80 2109
81 2133
82 2157
83 2205
84 2229
85 2277
86 2301
87 2325
88 2349
89 2373
90 2421
91 2469
92 2517
93 2529
94 2553
95 2577
96 2601
97 2625
98 2673
99 2721
100 2769
rdkss : prtvol=0, stop printing more G-vector information
vkbsign: 0.0 1.0 -1.0 -1.0 0.0 1.0 1.0 0.0
k eigenvalues [eV]
1 -14.91 -4.50 -4.50 -4.50 -3.61 -3.61 -1.50 0.69 0.69
0.69
2.82 2.82 2.82 3.84 4.39 4.39 4.39 4.94 4.94
9.10
9.10 9.10 10.58 10.58 10.58 12.05 12.05 12.05 13.92
18.71
18.71 19.34 21.65 21.65 21.65 23.19 24.07 24.07 24.07
26.32
26.32 27.73 29.03 29.03 29.03 33.21 33.21 33.21 33.43
33.43
33.43 33.89 33.89 33.89 34.72 34.72 35.20 35.20 35.20
35.54
36.82 36.82 36.82 38.53 38.53 38.53 41.23 41.35 41.35
43.18
43.18 43.18 43.23 43.23 43.96 43.96 43.96 47.37 50.69
51.19
51.19 51.19 51.59 51.59 51.59 53.57 53.57 53.57 58.84
58.84
59.02 59.02 59.02 61.22 61.22 61.22 61.32 61.32 61.32
61.95
67.13 67.13 67.13 67.70 67.70 68.25 68.25 68.25 68.63
69.57
69.57 69.57 69.79 69.79 70.18 70.18 70.18 70.30 70.30
70.30
70.39 70.39 74.48 74.48 74.48 74.59 74.59 74.59 74.94
75.49
75.49 75.49 77.55 77.55 77.55 77.86 77.86 78.12 78.12
78.12
78.14 78.14 78.14 79.02 79.11 79.11 82.56 82.56 82.56
82.68
83.10 83.10 83.10 83.22 86.24 86.24 86.24 86.47 86.47
86.58
88.09 88.09 88.09 88.66 88.66 88.87 88.87 88.87 90.25
90.25
90.25 92.50 96.52 96.52 96.52 96.82 96.82 96.82 97.69
97.98
97.98 97.98 101.44 101.44 103.28 103.28 103.28 103.49 103.49
103.49
104.13 104.13 104.13 104.13 104.13 104.13 104.79 104.79 104.82
105.33
2 -14.76 -5.84 -4.65 -4.65 -3.44 -2.64 -0.43 0.72 0.72
0.79
1.95 3.19 3.19 3.67 4.18 4.18 4.18 5.49 5.54
7.79
7.79 7.94 10.50 12.13 12.13 12.63 12.72 12.72 14.58
17.59
18.92 19.78 20.06 20.85 20.85 21.88 24.06 24.06 25.44
26.22
27.40 27.84 27.84 29.23 29.81 30.83 31.14 31.14 31.99
32.95
33.10 33.10 33.86 33.86 34.07 35.10 36.09 36.10 36.27
36.27
36.69 38.47 38.91 38.91 39.81 39.81 40.98 41.03 41.57
41.73
43.35 43.35 44.83 44.83 45.43 46.72 46.92 47.23 49.27
50.39
50.78 50.78 51.73 51.73 52.66 54.06 54.06 54.75 56.10
56.42
56.59 56.59 59.10 60.15 60.87 60.87 61.18 63.50 63.50
64.08
64.14 65.08 65.08 66.43 66.62 66.65 66.65 66.87 67.35
67.63
67.63 67.98 68.73 69.17 69.19 69.19 70.11 71.15 71.15
72.17
72.72 74.03 74.07 74.56 74.56 74.83 75.32 75.32 75.41
75.70
76.35 76.35 76.44 77.22 77.24 77.24 77.34 78.25 78.79
79.04
79.04 79.83 79.83 79.91 80.11 80.67 81.78 82.09 82.56
82.56
82.77 84.47 84.84 84.84 85.12 85.71 85.71 85.79 87.33
87.50
87.99 87.99 89.39 90.12 90.12 90.12 90.68 90.87 92.17
92.17
92.60 93.53 94.07 94.07 95.15 95.98 95.98 96.70 96.92
97.41
97.89 97.90 97.90 98.86 100.99 101.00 101.00 101.62 101.62
102.48
103.46 103.67 103.67 104.07 104.22 104.47 104.47 104.86 105.02
105.13
3 -14.43 -7.29 -4.94 -4.94 -3.00 -0.88 0.67 1.04 1.04
1.11
1.11 3.06 3.06 3.30 3.63 4.11 4.11 5.64 6.04
6.91
6.91 7.58 10.37 13.09 13.09 13.92 14.15 14.80 15.10
15.10
19.50 19.50 19.61 19.74 20.71 22.11 23.66 23.66 24.62
24.62
25.26 25.94 26.06 28.96 29.86 30.27 31.17 31.17 32.35
32.51
32.51 32.86 33.93 33.93 34.50 34.64 35.57 35.57 36.38
36.44
37.44 37.87 39.17 40.80 40.80 41.70 42.16 43.41 43.41
44.73
45.17 45.17 46.99 46.99 47.28 47.37 48.71 48.81 48.81
49.01
50.32 50.64 51.77 51.77 52.65 54.19 54.56 54.56 55.21
56.05
56.78 56.78 58.40 59.05 59.15 59.15 59.27 60.38 60.38
60.99
61.37 61.37 61.76 63.75 63.89 63.89 64.25 65.46 66.24
67.12
68.12 68.12 68.30 69.80 69.88 69.88 70.25 71.37 71.97
71.97
72.69 73.53 73.54 74.05 74.34 74.34 75.46 76.12 76.35
76.35
76.84 76.84 77.00 79.23 79.23 79.35 79.62 79.62 79.82
79.88
82.14 82.14 82.42 82.52 82.70 82.87 82.95 83.13 83.13
83.67
83.83 83.95 84.78 85.34 85.34 86.15 86.18 87.02 87.02
87.14
87.14 87.70 89.28 90.36 90.80 90.92 90.92 92.37 92.81
92.81
93.30 93.30 93.30 94.25 94.37 94.50 94.50 94.60 96.90
96.90
97.13 97.38 97.41 97.41 97.57 97.92 99.55 100.34 101.12
101.12
101.56 102.45 102.58 102.64 103.45 103.45 103.68 104.05 104.05
104.67
4 -14.25 -7.87 -5.07 -5.07 -2.69 0.03 0.87 1.20 1.25
1.91
1.91 2.06 2.06 3.09 3.18 4.26 4.31 4.31 6.20
6.74
6.74 10.31 10.61 10.83 13.86 13.86 13.95 14.64 15.84
15.84
20.42 20.42 20.63 20.82 20.82 21.23 21.59 22.00 23.33
24.23
24.30 24.30 25.92 28.20 30.65 31.00 31.08 31.08 32.16
32.35
32.35 32.63 33.58 34.44 34.44 34.80 34.92 34.92 36.31
38.03
38.39 38.63 38.65 42.07 42.55 42.55 42.63 42.90 42.90
44.38
45.83 46.59 46.59 47.52 47.65 48.49 48.49 50.60 50.60
50.63
51.82 51.82 52.50 52.73 53.34 53.34 54.30 54.30 54.57
54.67
54.67 55.28 57.28 58.26 58.50 58.50 59.26 59.46 59.46
59.89
60.26 60.26 61.64 61.98 62.53 63.00 63.00 63.86 65.52
66.39
67.05 68.09 68.09 68.23 68.29 68.29 70.21 70.92 71.82
73.04
74.15 74.15 74.49 74.49 75.51 75.58 76.38 76.38 77.81
78.11
78.35 78.35 78.35 78.81 79.71 80.05 80.05 80.50 80.83
80.83
81.64 81.64 81.69 82.19 82.23 82.23 82.62 83.14 83.16
83.26
85.16 86.09 87.48 87.50 87.50 87.67 87.67 87.75 88.15
88.15
88.31 88.77 88.77 88.82 88.86 89.60 89.61 90.32 90.32
90.92
90.92 91.83 91.92 92.05 92.76 93.83 93.83 95.72 96.35
96.44
97.73 97.83 98.14 98.33 98.39 98.39 99.13 99.90 99.90
100.61
100.61 101.49 101.60 102.78 103.90 103.90 104.08 104.08 104.99
105.17
5 -14.64 -6.02 -5.43 -4.70 -2.93 -2.02 -0.70 -0.02 1.46
1.59
2.53 2.65 3.21 3.44 3.47 4.25 4.42 5.73 5.94
6.62
7.42 8.50 10.78 12.14 12.49 12.84 12.89 13.37 15.34
17.31
18.64 19.56 20.00 20.02 20.58 21.23 23.86 24.10 25.35
26.36
27.39 27.52 27.68 27.98 30.32 30.40 30.69 30.96 31.40
31.87
32.24 32.51 33.39 33.64 34.01 34.58 36.75 36.80 37.31
37.79
37.81 38.16 38.80 39.60 40.08 40.88 41.17 41.91 42.68
43.47
43.87 44.15 44.30 45.25 45.74 46.21 47.84 48.67 49.42
49.51
50.47 50.85 52.10 52.31 52.84 54.02 54.21 54.44 55.98
56.14
56.22 56.41 56.77 59.39 59.90 60.23 61.62 61.89 62.97
63.69
63.79 63.82 64.92 65.13 65.50 66.43 66.52 66.62 67.40
67.46
67.78 68.20 68.80 69.18 69.75 70.13 70.19 70.32 70.55
70.81
71.91 72.67 73.02 73.06 73.72 74.41 74.76 75.25 75.32
75.73
75.75 76.53 76.73 76.89 77.96 78.04 78.44 78.48 79.21
79.95
80.46 80.83 81.19 81.41 81.54 81.55 82.10 82.68 83.33
83.34
83.69 84.12 84.51 84.70 85.78 86.12 86.38 87.00 87.65
88.51
88.82 88.92 89.23 90.15 90.17 90.38 90.47 92.13 92.52
92.86
93.24 93.44 94.21 94.53 95.35 95.97 96.08 96.54 97.45
97.73
97.81 98.06 98.25 98.53 98.66 98.83 99.10 99.94 100.02
100.66
101.17 101.21 101.49 101.99 102.39 102.63 103.93 104.20 104.35
104.58
6 -14.38 -7.08 -5.50 -4.82 -2.60 -0.73 -0.39 -0.17 1.44
1.47
2.12 2.92 2.99 3.78 3.86 4.15 4.22 5.49 6.16
7.15
7.15 7.66 10.71 12.51 13.54 13.59 14.16 14.58 14.89
15.52
18.88 19.22 19.29 20.57 21.49 21.55 22.49 23.74 23.90
24.61
25.40 26.50 27.10 27.74 27.94 29.90 30.27 31.15 31.72
31.90
32.64 32.79 32.91 33.58 34.39 35.65 36.15 36.92 37.55
38.04
38.36 38.57 39.98 40.73 41.49 41.61 43.32 43.65 43.72
44.14
44.92 45.37 46.02 46.50 47.75 48.00 48.37 49.17 49.59
49.66
50.51 50.90 51.47 52.08 53.18 54.15 54.35 54.48 54.96
55.25
55.45 56.77 57.57 58.18 58.19 58.53 58.82 59.70 60.78
61.14
62.53 62.88 63.55 63.73 63.87 63.96 65.82 65.91 66.32
66.37
66.84 67.10 68.10 68.32 69.00 69.58 69.62 69.88 71.42
71.61
72.54 72.72 73.22 73.33 73.91 74.19 74.58 75.15 75.76
76.09
76.16 76.62 77.35 77.85 78.17 78.76 79.67 79.74 80.47
80.65
81.56 81.76 81.87 82.26 82.64 82.94 83.37 83.54 84.07
84.94
85.22 85.23 85.44 85.99 86.29 87.48 87.50 87.73 88.08
88.12
88.84 89.17 89.73 89.88 90.71 91.70 92.02 92.57 92.74
92.95
92.99 93.26 93.92 94.01 94.10 94.21 95.01 95.19 95.76
95.85
96.08 96.42 97.58 97.81 98.41 98.60 99.23 99.75 100.11
100.23
101.34 101.61 101.68 101.92 102.18 102.56 102.67 102.99 103.53
103.94
7 -14.24 -7.56 -5.51 -4.89 -2.50 -0.12 0.11 0.48 0.83
1.01
2.07 2.41 3.19 3.81 4.17 4.24 4.32 4.78 6.25
6.73
7.13 9.96 10.59 10.85 13.33 13.64 14.43 14.88 15.38
15.91
19.18 20.17 20.17 20.58 20.67 21.51 22.36 22.43 22.82
24.41
24.48 24.89 26.96 27.05 27.85 30.14 30.46 31.32 31.37
31.53
31.72 32.85 33.75 33.97 34.06 35.50 36.64 37.60 37.95
38.70
38.89 39.44 39.80 39.88 42.42 42.66 42.81 43.60 44.17
44.92
45.25 46.00 46.92 47.70 47.74 48.93 49.14 49.99 50.39
50.60
50.85 51.66 51.88 52.39 53.21 53.99 54.27 54.35 54.57
55.01
55.06 55.26 56.22 56.41 57.59 58.23 58.79 58.98 59.98
60.46
60.49 62.16 62.96 63.34 63.62 64.08 64.20 64.32 64.84
65.76
66.49 66.51 67.08 68.26 69.11 69.37 69.40 69.85 71.18
71.58
72.46 72.80 73.55 73.65 74.55 75.26 75.29 75.38 75.68
76.45
77.24 77.39 78.54 78.80 79.12 79.44 79.45 80.22 80.98
81.39
81.56 81.77 82.11 82.12 82.35 83.33 83.55 84.31 84.72
85.18
85.40 85.78 86.55 86.59 86.92 87.29 87.66 88.21 88.35
88.51
88.72 89.28 89.57 89.79 90.05 90.65 90.70 90.87 91.26
91.47
92.06 93.72 94.26 94.30 94.58 94.69 95.28 95.78 95.96
96.15
96.16 96.33 96.65 97.43 97.84 98.61 98.63 98.84 99.25
99.94
100.30 100.98 102.36 102.41 102.42 102.87 102.99 103.53 104.76
104.94
8 -14.28 -6.78 -6.14 -4.57 -2.54 -1.09 -0.89 0.24 0.31
1.23
3.06 3.07 3.89 4.11 4.13 4.39 4.69 5.00 6.48
6.98
7.87 7.97 11.11 11.99 13.31 13.37 13.92 14.37 15.29
16.46
17.52 18.63 18.88 20.70 21.45 21.99 22.66 23.68 24.04
24.06
24.97 25.40 25.96 27.20 27.96 28.12 29.33 30.42 30.84
31.06
31.73 32.55 34.03 34.31 34.55 35.49 37.30 37.48 37.91
39.71
40.34 40.73 41.01 41.60 41.69 42.98 43.48 44.59 44.99
45.17
45.57 45.94 46.29 47.17 47.69 47.79 49.14 49.34 49.37
49.63
50.61 50.66 51.99 52.10 52.15 53.23 53.34 53.43 54.49
54.65
54.76 56.43 57.65 57.87 58.60 58.76 59.02 60.00 60.21
60.54
61.95 62.21 63.20 63.48 63.54 63.94 64.52 64.58 65.08
65.52
67.42 67.54 68.24 68.48 69.12 69.26 69.43 69.83 70.91
71.57
71.81 72.25 72.76 73.11 73.34 73.56 73.74 74.01 74.30
74.73
75.27 75.50 76.71 76.84 77.44 77.56 77.91 79.36 80.14
80.21
81.50 81.55 81.61 83.77 84.02 84.13 84.19 84.76 85.12
85.46
85.62 86.06 86.43 86.60 86.84 87.49 87.87 88.13 89.14
89.49
90.01 90.14 90.17 91.25 91.59 91.94 92.01 92.07 92.89
93.21
93.37 93.60 94.49 94.62 94.63 94.92 95.06 95.25 95.25
95.78
97.73 98.19 98.24 98.26 98.75 98.77 99.20 99.80 99.97
100.50
101.21 101.44 101.60 102.40 102.52 103.26 103.26 104.00 104.37
104.61
9 -14.22 -6.85 -6.13 -4.43 -2.80 -1.15 -0.87 -0.56 0.75
2.10
2.77 2.87 3.89 4.10 4.34 4.39 4.53 5.76 6.46
6.64
8.45 9.20 10.83 11.06 12.72 12.92 13.42 15.76 16.01
16.24
17.23 19.01 19.86 20.02 20.34 21.42 22.27 22.85 23.42
24.33
25.02 26.25 26.57 26.83 27.08 28.57 29.50 29.71 30.45
30.72
30.72 32.56 32.56 34.60 35.22 35.56 37.38 37.96 38.91
40.14
40.35 41.72 41.74 42.85 43.25 43.49 44.10 44.90 45.41
45.62
45.72 45.98 46.13 46.94 47.29 47.79 49.05 49.41 49.44
49.86
50.48 51.20 51.33 51.56 52.87 52.94 53.05 53.28 54.23
55.32
56.07 56.42 56.50 57.06 57.59 58.22 58.89 59.18 60.21
60.34
60.39 61.50 62.45 62.78 63.40 63.87 64.71 65.59 65.97
66.32
67.30 67.34 68.02 68.25 68.64 68.88 69.29 69.60 71.05
71.45
71.65 71.85 72.40 72.61 72.84 72.89 73.43 73.67 74.22
74.67
75.25 76.12 76.64 76.72 78.55 78.94 79.19 79.54 79.77
79.94
80.38 80.69 80.99 82.13 82.58 83.07 84.19 85.02 85.09
85.43
85.51 85.54 85.93 86.50 87.15 87.73 88.55 88.82 88.82
89.24
90.00 90.45 91.30 91.37 91.53 91.99 92.11 92.62 93.51
93.61
94.21 94.28 94.41 94.63 95.33 95.53 95.85 95.97 96.97
97.01
97.06 97.47 97.83 98.96 99.08 99.75 100.57 100.61 101.54
101.91
102.08 102.17 103.08 103.31 104.07 104.73 104.77 104.99 105.27
105.60
10 -14.22 -6.37 -6.37 -4.11 -3.33 -1.55 -1.22 -1.22 2.25
2.25
2.79 3.33 3.67 3.67 4.33 4.38 4.56 6.36 6.56
6.56
9.94 10.12 10.78 10.78 11.26 11.26 14.11 16.00 16.00
16.26
18.41 18.42 19.97 19.97 20.06 20.75 20.98 22.26 22.26
25.19
25.37 26.59 27.08 28.05 28.54 28.54 29.02 29.02 29.84
30.07
30.07 32.15 32.15 32.18 35.10 35.10 36.20 40.10 41.66
42.41
42.91 42.91 43.62 43.75 43.98 44.28 44.29 44.29 44.53
44.66
44.66 45.31 46.07 46.96 46.96 47.36 47.36 49.68 50.03
50.19
50.21 50.21 50.98 52.60 52.77 53.33 53.34 53.34 53.77
54.43
55.45 56.14 57.04 57.04 57.61 57.61 57.73 57.73 59.52
59.75
62.07 63.70 63.70 63.74 64.20 64.20 64.59 65.16 65.16
65.69
66.61 66.75 67.16 68.24 68.28 68.62 68.62 69.70 70.88
71.22
71.22 71.62 71.62 73.36 74.27 74.27 74.49 74.57 74.80
74.80
74.86 74.86 75.47 76.23 76.34 77.32 78.56 79.27 79.28
79.30
79.85 79.85 80.54 80.54 82.29 82.55 82.55 83.88 84.71
84.71
85.08 85.82 85.82 85.97 86.16 88.14 88.65 88.65 89.04
89.11
89.58 89.58 91.55 92.71 92.83 93.15 93.15 94.43 94.43
94.54
94.63 95.27 95.63 95.63 96.75 97.15 99.05 99.42 99.42
99.77
99.82 100.13 100.13 100.36 100.46 100.46 101.13 101.70 101.73
101.73
101.74 102.24 102.29 102.29 102.40 103.00 104.66 104.66 105.07
105.49
11 -14.54 -5.91 -5.53 -5.53 -2.14 -2.14 -0.06 0.29 0.29
1.62
2.89 2.89 3.12 3.37 3.95 4.27 4.27 6.05 6.05
6.55
7.43 7.43 12.14 12.27 12.32 12.32 13.68 13.68 15.20
17.80
17.80 19.37 19.86 19.86 20.75 21.14 23.22 23.22 25.75
26.62
26.62 26.85 27.06 28.26 28.26 30.36 30.36 31.31 31.61
31.61
31.62 32.94 32.94 33.88 35.45 35.45 36.99 36.99 37.07
37.13
38.61 38.61 39.03 39.03 39.09 42.84 42.84 43.39 43.82
43.88
43.94 43.94 44.62 46.13 46.13 46.67 47.79 47.79 49.10
50.17
50.17 50.83 52.10 52.10 52.74 53.60 53.71 53.71 55.80
55.80
56.86 58.87 58.87 59.98 59.98 60.11 60.32 60.32 61.19
62.26
62.26 62.93 63.99 64.43 64.43 65.29 65.96 66.75 66.75
66.81
66.81 67.99 67.99 68.51 70.39 70.39 70.41 70.83 72.11
72.11
72.24 72.26 72.26 72.94 73.00 73.00 74.66 74.88 74.88
75.00
75.65 75.65 77.16 77.16 77.18 77.74 78.57 78.57 80.29
80.29
80.32 80.64 81.86 82.04 82.04 83.10 83.10 83.65 83.99
83.99
84.44 84.52 85.80 85.80 86.56 86.56 87.60 87.75 87.75
89.54
89.65 89.65 90.35 90.35 90.46 90.49 91.03 91.03 92.08
92.08
92.21 92.55 92.84 93.91 93.91 94.84 94.89 94.89 97.09
97.64
97.64 97.77 98.20 98.20 99.68 100.30 100.54 100.54 101.17
101.17
101.47 101.47 101.93 102.68 102.68 102.91 103.48 103.48 103.82
103.82
12 -14.32 -6.88 -5.76 -5.23 -2.19 -1.12 -0.43 0.37 0.98
1.42
2.18 3.30 3.47 3.72 4.02 4.22 4.42 5.62 6.12
6.56
7.45 7.67 11.48 12.45 12.68 13.60 13.96 14.80 15.16
15.62
18.67 19.14 19.87 20.31 20.92 21.94 22.44 22.75 23.22
24.28
25.96 26.11 26.77 27.46 27.57 28.05 30.60 30.64 31.49
32.25
32.82 33.00 34.12 34.46 35.42 36.42 36.48 36.81 37.31
37.74
37.81 38.94 39.13 41.03 42.14 42.78 43.21 43.76 44.79
44.83
45.14 45.32 46.06 46.38 47.50 47.90 48.51 49.44 49.52
49.82
50.60 50.68 51.05 52.35 52.89 53.13 53.83 55.23 55.54
55.63
56.81 57.50 57.79 58.15 58.31 58.85 59.54 60.03 60.27
60.69
61.77 62.55 63.39 63.50 63.76 64.19 65.00 65.01 65.33
66.01
66.44 67.05 67.05 67.23 67.61 68.65 68.87 70.11 70.71
70.79
71.66 72.17 73.39 73.89 74.12 74.18 74.57 75.05 76.14
76.20
76.52 77.09 77.38 78.23 78.35 78.40 78.94 79.11 79.95
80.71
81.19 81.64 81.75 82.42 82.67 83.24 83.57 83.83 84.21
84.67
84.78 85.37 85.48 86.46 87.33 87.61 88.02 88.51 88.95
89.25
89.62 90.43 90.52 90.62 90.71 91.07 91.21 91.42 91.78
92.29
92.96 93.22 93.53 93.86 93.86 94.50 94.54 95.62 95.73
96.30
96.59 96.89 97.19 97.94 99.05 99.39 99.54 100.45 100.67
100.75
101.15 101.47 101.66 102.39 102.79 103.45 103.96 104.86 105.19
105.19
13 -14.21 -7.34 -5.88 -4.95 -2.15 -1.11 -0.79 1.42 1.51
1.74
2.16 2.49 3.06 3.30 4.18 4.23 4.91 4.91 6.18
6.34
8.07 9.42 10.91 11.37 13.29 13.36 13.38 13.77 16.92
16.95
18.88 19.10 19.76 20.36 20.98 21.07 21.35 23.10 23.26
24.07
24.65 25.27 26.22 26.45 27.24 27.88 30.67 31.55 31.56
32.14
32.37 33.58 33.74 34.29 35.18 35.96 36.62 37.88 37.96
37.99
39.43 39.83 39.83 40.09 41.46 42.42 42.83 44.45 44.56
45.67
46.03 46.14 47.20 47.42 47.73 48.65 49.28 49.79 49.86
50.33
50.75 51.81 51.97 52.15 52.97 53.35 54.00 54.52 54.74
54.91
56.02 56.16 56.52 57.11 57.73 58.73 59.60 59.81 60.41
60.88
61.33 61.43 62.16 62.54 63.23 63.45 63.98 64.50 65.35
65.65
65.93 66.46 66.62 66.99 67.41 67.96 68.37 69.79 70.94
71.83
71.98 72.35 72.67 72.82 74.41 74.50 75.44 75.70 75.70
75.99
76.16 77.61 78.23 78.86 79.37 79.56 79.62 79.77 80.48
81.12
81.56 81.93 82.02 82.16 82.53 83.55 84.02 84.06 84.31
84.51
84.93 85.24 85.60 86.10 86.29 86.38 87.62 88.04 89.03
89.12
89.57 89.94 90.21 90.46 91.12 91.59 91.61 91.76 91.85
92.33
92.53 93.34 93.81 93.84 94.25 94.40 95.42 95.94 96.21
96.34
97.00 97.73 97.78 98.05 98.26 98.27 98.74 99.23 100.43
101.81
101.85 102.70 103.06 103.41 103.47 103.48 104.03 104.78 104.88
104.90
14 -14.20 -6.69 -6.36 -5.36 -2.07 -0.94 -0.93 0.34 0.83
2.25
2.88 3.27 3.56 3.98 4.14 4.25 4.76 5.28 6.22
6.66
7.81 7.83 11.96 12.16 12.46 13.65 13.68 14.46 15.55
16.37
16.83 19.63 20.18 20.49 21.06 21.44 21.46 22.60 22.85
23.68
24.98 25.03 26.49 26.59 27.41 28.23 28.93 30.70 31.30
32.09
32.87 33.57 34.79 35.32 35.74 36.24 36.77 37.00 37.77
37.79
38.94 39.41 41.24 41.43 43.02 43.15 44.16 44.42 44.57
44.84
45.44 46.21 46.40 46.71 47.20 47.66 48.27 49.46 49.94
50.69
50.81 51.23 51.88 52.48 53.42 54.54 54.82 54.96 54.98
55.27
55.88 56.80 57.27 57.64 57.91 58.33 58.82 59.66 59.96
60.89
61.38 62.13 63.24 63.34 63.63 63.82 64.51 64.72 65.09
65.49
65.71 66.17 66.30 67.16 67.20 68.15 68.68 68.97 69.25
69.86
71.21 71.54 72.37 73.38 73.43 73.76 74.61 74.80 75.51
75.85
76.20 76.43 76.90 76.90 77.98 78.43 78.65 79.75 79.86
81.17
81.45 81.75 82.17 82.76 82.80 83.03 83.40 83.96 84.27
84.41
84.82 84.88 85.93 86.16 86.41 86.85 87.30 87.61 88.39
89.04
89.42 90.57 90.74 91.53 92.23 92.35 92.60 92.84 92.89
93.10
93.21 93.51 94.20 94.79 94.85 95.01 96.51 96.52 97.16
97.89
97.99 99.19 99.41 99.57 99.59 100.05 100.40 101.15 101.30
101.35
101.74 102.24 102.75 103.09 103.72 103.96 104.67 105.03 105.25
105.57
15 -14.14 -6.89 -6.44 -5.19 -2.36 -1.10 -1.01 0.76 1.43
2.37
2.88 3.02 3.81 3.99 4.08 4.26 4.55 5.49 5.77
6.65
8.53 9.09 10.92 11.86 12.42 12.89 13.57 14.74 16.43
16.60
17.25 19.41 19.82 20.14 20.42 21.02 21.10 22.56 22.59
24.15
24.97 25.09 25.81 26.96 27.12 27.59 28.68 30.68 31.59
31.82
32.05 33.81 34.65 35.22 35.27 36.81 36.89 37.43 37.65
38.08
39.95 40.84 41.35 41.92 43.25 43.35 43.72 44.43 44.67
45.46
46.01 46.18 47.00 47.20 48.20 48.23 48.52 49.63 49.72
50.66
50.85 51.54 51.97 52.13 52.49 53.43 53.84 54.60 56.07
56.09
56.46 56.65 57.46 57.56 58.22 58.57 58.92 58.92 59.46
59.71
60.61 60.80 61.65 63.21 63.84 64.02 64.60 64.78 64.87
65.38
65.50 65.57 66.87 67.19 67.27 68.39 68.58 69.18 69.60
70.20
71.45 71.52 71.97 72.16 73.82 73.99 74.13 74.35 74.88
75.22
75.56 76.83 77.12 77.28 77.42 78.00 78.12 79.75 79.86
80.10
80.95 81.15 81.49 81.76 82.03 82.68 82.97 83.48 84.47
84.51
84.99 85.59 86.07 86.48 86.50 87.06 87.65 87.74 87.83
89.00
89.80 90.36 90.84 91.07 91.87 92.03 92.29 93.21 93.57
94.24
94.66 94.75 95.57 95.97 96.23 96.93 97.24 97.71 98.07
98.63
99.18 99.77 100.08 100.19 100.50 101.26 101.39 101.89 101.98
102.34
102.67 102.84 102.87 103.28 103.76 104.15 104.23 104.63 104.72
105.67
16 -14.11 -6.66 -6.66 -5.36 -2.67 -0.81 -0.81 -0.04 2.46
2.46
2.84 3.38 3.75 3.75 4.27 4.30 4.46 5.80 5.80
6.77
8.58 10.29 10.87 10.87 11.94 11.94 15.02 15.78 16.13
16.13
16.67 18.39 19.41 19.41 20.63 20.72 21.48 22.32 23.55
23.55
24.94 24.94 25.27 27.13 28.14 28.14 29.00 30.11 30.98
30.98
31.70 32.52 34.71 34.71 35.82 36.69 36.69 36.80 39.08
40.09
40.09 40.74 42.69 43.55 43.55 43.63 44.76 44.76 44.83
45.21
45.32 46.71 46.71 47.01 48.15 48.51 49.41 49.41 49.53
49.76
51.56 51.71 51.97 51.97 52.16 52.74 52.74 53.83 54.56
56.89
56.89 57.15 57.62 57.81 57.81 57.91 58.46 59.06 59.06
61.13
61.73 62.31 62.55 62.55 63.07 64.28 64.67 64.67 64.83
65.44
65.44 65.65 65.65 65.85 66.44 66.57 68.32 68.32 71.33
72.16
72.74 72.80 72.80 72.86 72.86 73.21 74.15 74.15 74.66
74.66
74.88 74.96 76.30 76.30 76.33 77.30 78.35 78.68 79.83
79.87
79.87 80.45 80.45 80.77 81.33 81.33 81.35 81.89 83.52
83.52
84.31 84.92 86.04 86.04 86.28 86.39 87.93 89.19 89.19
89.99
90.77 90.77 91.63 93.74 93.91 94.03 94.03 95.52 95.64
95.64
95.72 96.15 96.15 96.83 98.09 98.09 98.24 98.31 98.80
99.88
99.90 99.90 100.40 100.79 100.89 100.89 101.28 101.40 102.25
102.33
102.33 102.76 102.76 102.86 104.08 104.55 104.55 104.60 104.91
105.65
17 -14.05 -6.76 -6.76 -6.20 -1.40 -0.82 -0.82 1.66 1.81
1.81
3.64 3.64 3.75 3.84 4.08 4.08 4.86 4.95 4.95
7.24
7.66 7.66 11.69 13.12 13.30 13.30 13.35 15.13 15.13
16.10
16.10 18.00 20.83 20.98 20.98 21.19 21.98 21.98 22.24
22.44
22.44 25.25 25.25 26.05 28.83 29.73 30.37 30.37 31.38
31.38
32.71 33.39 33.39 35.45 37.24 37.24 37.45 37.45 38.63
39.09
39.09 40.08 40.23 42.08 42.30 42.30 43.35 43.35 43.51
45.57
46.15 46.15 46.47 46.53 46.53 49.08 49.08 49.18 51.28
51.28
51.72 52.75 52.75 54.20 54.89 54.94 54.94 56.02 56.02
56.02
56.69 56.69 56.84 56.84 57.00 58.34 58.34 59.02 59.58
60.08
61.25 61.53 61.75 61.75 63.24 63.38 63.38 64.89 65.01
65.01
66.83 66.94 66.94 67.76 67.76 68.17 68.26 68.26 68.86
69.01
69.01 69.91 69.91 70.84 72.67 73.69 73.69 74.42 74.42
74.53
75.83 75.83 76.92 76.92 77.19 77.89 77.89 78.09 79.81
80.10
80.10 80.48 81.36 81.40 81.40 82.63 84.37 84.37 84.62
84.78
84.78 86.21 86.21 86.61 87.17 87.17 88.13 88.13 88.37
89.42
90.43 90.43 91.22 91.94 92.43 92.43 92.55 92.89 93.28
93.28
93.72 93.84 93.84 96.66 96.66 97.46 98.79 98.96 98.96
99.73
99.73 99.98 100.69 100.69 100.80 101.79 101.79 102.54 102.89
102.89
102.90 103.60 103.60 104.66 104.81 104.81 105.97 105.97 106.41
106.46
18 -13.97 -7.04 -6.95 -6.31 -1.28 -0.72 -0.46 2.23 2.24
2.55
3.35 3.38 3.60 3.65 4.07 4.09 4.54 4.57 4.98
7.12
7.59 9.18 11.01 12.75 13.11 13.53 13.84 14.14 15.18
16.76
16.92 17.65 18.82 19.99 20.22 20.96 21.80 22.49 22.72
22.76
22.87 25.96 26.38 26.46 26.63 28.69 30.49 30.74 31.24
31.67
32.70 33.12 35.31 35.55 35.67 36.10 37.41 37.42 38.38
38.95
40.68 40.97 41.06 41.25 41.38 42.72 43.94 44.81 44.85
45.71
46.26 46.49 47.27 47.40 47.43 47.60 49.01 49.54 50.02
50.50
51.17 52.39 52.62 53.15 54.13 54.51 55.14 56.25 56.27
56.73
56.91 57.56 57.59 57.76 57.83 58.01 58.53 59.13 59.65
60.74
61.03 61.43 61.53 62.43 62.57 62.80 63.40 63.98 64.80
65.83
66.12 66.25 66.52 67.25 67.44 67.68 67.85 68.31 68.51
70.51
70.63 70.65 70.93 72.10 72.12 72.46 72.89 73.32 73.67
74.27
74.28 74.74 75.23 75.30 76.47 76.68 76.99 77.94 78.13
78.19
79.05 79.76 80.68 81.37 82.35 82.58 83.55 84.30 84.34
85.36
85.96 86.57 86.76 86.87 87.69 87.91 87.95 88.25 90.16
90.98
91.12 91.57 91.86 92.05 92.09 92.72 93.20 93.74 94.37
94.72
94.99 95.17 95.18 97.27 97.34 97.60 98.07 98.16 98.26
98.58
99.17 100.44 101.46 101.82 101.93 102.04 102.39 102.89 102.91
103.55
104.16 104.34 104.89 104.94 105.20 105.78 106.14 106.41 106.66
107.19
19 -13.88 -7.14 -7.14 -6.79 -0.94 0.04 0.04 1.92 2.81
2.81
2.94 3.44 3.95 3.95 4.04 4.16 4.16 4.48 4.48
6.21
8.26 10.73 11.03 11.03 13.22 13.22 14.26 14.93 15.88
16.23
16.23 17.13 18.33 19.00 19.00 21.22 21.94 22.00 22.00
24.58
24.65 24.65 25.72 27.48 27.48 28.63 30.20 30.71 30.90
30.90
33.53 33.84 34.22 34.54 35.31 35.31 37.10 37.98 37.98
39.66
40.61 40.61 41.38 42.42 43.69 43.69 44.52 44.52 45.18
46.59
47.07 47.11 47.47 47.62 47.62 48.05 48.94 48.94 49.11
49.45
51.17 51.19 51.24 51.24 53.00 54.32 55.23 55.23 56.72
56.72
56.75 57.79 57.79 58.21 58.30 59.92 59.92 60.27 60.46
61.46
61.60 61.60 61.79 63.24 64.17 64.17 64.69 65.47 65.56
65.56
65.85 66.08 66.17 66.22 66.27 66.27 67.75 67.75 68.05
68.24
69.54 70.39 70.39 70.98 71.14 72.47 72.48 72.48 72.49
73.13
73.13 73.14 74.39 74.39 76.22 76.64 77.32 77.71 77.71
78.49
79.04 79.04 79.51 80.22 80.26 81.87 81.87 82.18 85.15
86.73
86.96 87.33 87.37 87.37 88.41 88.41 90.25 90.25 90.77
91.37
92.13 92.13 92.57 92.57 92.95 93.38 94.26 94.80 94.84
95.48
95.48 95.91 96.47 96.47 97.27 98.39 98.69 98.69 99.79
99.86
100.76 100.76 100.87 101.60 101.60 102.11 102.59 102.59 102.59
102.65
103.44 103.44 104.80 104.83 105.58 106.36 106.47 106.63 107.17
107.23
20 -13.74 -7.35 -7.35 -7.35 0.58 0.58 0.58 2.86 2.86
2.86
3.00 3.00 3.84 3.85 3.85 3.85 4.09 4.09 4.09
5.04
11.03 11.03 11.10 11.10 11.10 14.18 14.18 14.18 16.01
16.01
16.01 16.19 18.30 18.30 18.30 22.20 22.20 22.20 22.62
23.28
23.28 23.28 29.04 29.04 29.04 30.41 30.41 31.06 31.06
31.75
31.75 31.75 31.95 31.95 31.95 37.05 37.60 39.25 39.25
39.25
41.66 41.66 41.66 43.28 43.28 43.28 45.40 45.40 47.01
47.01
47.56 47.56 47.56 48.90 48.90 48.90 49.09 49.09 49.09
49.40
49.45 49.45 49.45 50.41 50.93 50.93 50.93 55.90 55.90
55.90
56.48 58.69 59.53 59.53 59.53 61.77 61.77 61.77 63.16
63.16
64.07 64.07 64.07 65.78 65.78 65.78 65.88 65.88 65.95
65.95
65.95 66.37 66.37 66.37 66.50 66.50 66.95 67.07 67.07
67.07
68.26 68.26 68.26 69.19 69.75 69.75 69.75 69.91 70.25
70.25
70.25 71.03 71.03 71.84 71.84 71.84 76.89 80.03 80.03
80.03
80.57 80.57 80.57 83.75 83.75 83.75 84.94 84.94 86.08
86.08
86.08 86.35 86.35 86.35 86.41 86.41 86.72 86.72 86.72
86.84
95.83 96.00 96.00 96.00 96.05 96.05 96.15 96.15 96.15
96.73
96.73 96.73 98.68 98.68 98.68 99.96 99.96 100.58 100.98
100.98
100.98 101.74 101.74 101.74 101.82 101.82 101.82 101.97 101.97
101.97
103.06 103.06 103.06 103.07 103.07 103.07 105.22 105.22 105.22
105.43
test on the normalization of the wavefunctions
min sum_G |a(n,k,G)| = 0.000000
max sum_G |a(n,k,G)| = 1.000000
test on the orthogonalization of the wavefunctions
min sum_G a(n,k,G)* a(n",k,G) = 0.000000
max sum_G a(n,k,G)* a(n",k,G) = 0.000436
-P-0000 timing point number 10
-P-0000 -cpu time = 36.24 seconds
-P-0000 -real time = 37.04 seconds
-P-0000
Bravais lattice: fcc
a = 12.41 [au] 6.57 Angstrom
real-space lattice vectors in cartesians [au]: 7.82 0.00 0.00
0.00 7.82 0.00
0.00 0.00 7.82
calculated reciprocal lattice vectors in cartesians [au]:
0.8037 0.0000 0.0000
0.0000 0.8037 0.0000
0.0000 0.0000 0.8037
brillouin zone volume = 0.5192 [au]
unit cell volume = 477.75 [au]
shell g-vector radius [au]
0 1 0.000000
1 7 0.803735
2 19 1.136653
3 27 1.392110
4 33 1.607470
5 57 1.797207
6 81 1.968741
7 93 2.273307
8 123 2.411206
9 147 2.541634
10 171 2.665688
11 179 2.784220
12 203 2.897909
13 251 3.007302
14 257 3.214941
15 305 3.313885
16 341 3.409960
17 365 3.503401
18 389 3.594413
19 437 3.683178
20 461 3.769852
21 485 3.937482
22 515 4.018676
23 587 4.098262
24 619 4.176331
25 691 4.328247
shell probably closed at 739
-P-0000 timing point number 20
-P-0000 -cpu time = 36.24 seconds
-P-0000 -real time = 37.05 seconds
-P-0000
setmesh: npwwfn = 739 ; Max (m1,m2,m3) = 5 5 5
setmesh: npweps/npwsigx = 739 ; Max (mm1,mm2,mm3) = 7 7 7
addshell = 2
setmesh: using method 1 with aliasing_factor = 1
setmesh: COMMENT -
Note that npwwfn is small with respect to npweps or with respect to npwsigx.
Such a small npwwfn is a waste:
You could raise npwwfn without loss in cpu time.
setmesh : finding a FFT mesh compatible with all the symmetries
setmesh : divisor mesh 1 1 1
setmesh: mesh size selected = 15x 15x 15
setmesh: total size of FFT array nr = 3375
G-table set up
-P-0000 timing point number 30
-P-0000 -cpu time = 36.26 seconds
-P-0000 -real time = 37.06 seconds
-P-0000
setting up r- and G-rotation tables
r-rotation tables set up
G-rotation tables set up
-P-0000 timing point number 40
-P-0000 -cpu time = 36.50 seconds
-P-0000 -real time = 37.30 seconds
-P-0000
identk : identifying k-points
number of k-points in irreducible wedge (IBZ) 20
k-points [reciprocal lattice units] weights
1 0.000000 0.000000 0.000000 0.020833
2 0.166667 0.000000 0.000000 0.125000
3 0.333333 0.000000 0.000000 0.125000
4 0.500000 0.000000 0.000000 0.062500
5 0.166667 0.166667 0.000000 0.250000
6 0.333333 0.166667 0.000000 0.500000
7 0.500000 0.166667 0.000000 0.250000
8 0.333333 0.333333 0.000000 0.250000
9 0.500000 0.333333 0.000000 0.250000
10 0.500000 0.500000 0.000000 0.062500
11 0.166667 0.166667 0.166667 0.166667
12 0.333333 0.166667 0.166667 0.500000
13 0.500000 0.166667 0.166667 0.250000
14 0.333333 0.333333 0.166667 0.500000
15 0.500000 0.333333 0.166667 0.500000
16 0.500000 0.500000 0.166667 0.125000
17 0.333333 0.333333 0.333333 0.166667
18 0.500000 0.333333 0.333333 0.250000
19 0.500000 0.500000 0.333333 0.125000
20 0.500000 0.500000 0.500000 0.020833
together with the 24 symmetry operations and inversion
have yielded 216 k-points in Brillouin Zone (BZ):
1 0.000 0.000 0.000 0.167 0.000 0.000 -0.167 0.000 0.000 0.000-0.167
0.000
5 0.000 0.167 0.000 0.000 0.000 0.167 0.000 0.000-0.167 0.333 0.000
0.000
9-0.333 0.000 0.000 0.000-0.333 0.000 0.000 0.333 0.000 0.000 0.000
0.333
13 0.000 0.000-0.333 0.500 0.000 0.000 0.000-0.500 0.000 0.000 0.000
0.500
17 0.167 0.167 0.000 -0.167 0.167 0.000 -0.167-0.167 0.000 0.167-0.167
0.000
21 0.000 0.167 0.167 0.000 0.167-0.167 0.000-0.167 0.167
0.000-0.167-0.167
25-0.167 0.000-0.167 0.167 0.000 0.167 0.167 0.000-0.167 -0.167 0.000
0.167
29 0.333 0.167 0.000 -0.333 0.167 0.000 -0.333-0.167 0.000 0.333-0.167
0.000
33-0.167-0.333 0.000 0.167-0.333 0.000 0.167 0.333 0.000 -0.167 0.333
0.000
37 0.000 0.333 0.167 0.000 0.333-0.167 0.000-0.333 0.167
0.000-0.333-0.167
41-0.333 0.000-0.167 0.333 0.000 0.167 0.333 0.000-0.167 -0.333 0.000
0.167
45 0.167 0.000 0.333 -0.167 0.000-0.333 -0.167 0.000 0.333 0.167
0.000-0.333
49 0.000-0.167-0.333 0.000-0.167 0.333 0.000 0.167-0.333 0.000 0.167
0.333
53 0.500 0.167 0.000 -0.500-0.167 0.000 -0.167-0.500 0.000 0.167-0.500
0.000
57 0.000 0.500 0.167 0.000 0.500-0.167 -0.500 0.000-0.167 0.500 0.000
0.167
61 0.167 0.000 0.500 -0.167 0.000-0.500 0.000-0.167-0.500 0.000
0.167-0.500
65 0.333 0.333 0.000 -0.333 0.333 0.000 -0.333-0.333 0.000 0.333-0.333
0.000
69 0.000 0.333 0.333 0.000 0.333-0.333 0.000-0.333 0.333
0.000-0.333-0.333
73-0.333 0.000-0.333 0.333 0.000 0.333 0.333 0.000-0.333 -0.333 0.000
0.333
77 0.500 0.333 0.000 -0.500-0.333 0.000 -0.333-0.500 0.000 0.333-0.500
0.000
81 0.000 0.500 0.333 0.000 0.500-0.333 -0.500 0.000-0.333 0.500 0.000
0.333
85 0.333 0.000 0.500 -0.333 0.000-0.500 0.000-0.333-0.500 0.000
0.333-0.500
89 0.500 0.500 0.000 0.000 0.500 0.500 -0.500 0.000-0.500 0.167 0.167
0.167
93-0.167 0.167-0.167 -0.167-0.167 0.167 0.167-0.167-0.167
-0.167-0.167-0.167
97 0.167-0.167 0.167 0.167 0.167-0.167 -0.167 0.167 0.167 0.333 0.167
0.167
101-0.333 0.167-0.167 -0.333-0.167 0.167 0.333-0.167-0.167
-0.167-0.333-0.167
105 0.167-0.333 0.167 0.167 0.333-0.167 -0.167 0.333 0.167 0.167 0.333
0.167
109-0.167 0.333-0.167 -0.167-0.333 0.167 0.167-0.333-0.167
-0.333-0.167-0.167
113 0.333-0.167 0.167 0.333 0.167-0.167 -0.333 0.167 0.167 0.167 0.167
0.333
117-0.167 0.167-0.333 -0.167-0.167 0.333 0.167-0.167-0.333
-0.167-0.167-0.333
121 0.167-0.167 0.333 0.167 0.167-0.333 -0.167 0.167 0.333 0.500 0.167
0.167
125-0.500 0.167-0.167 -0.500-0.167 0.167 0.500-0.167-0.167
-0.167-0.500-0.167
129 0.167-0.500 0.167 0.167 0.500-0.167 -0.167 0.500 0.167 0.167 0.167
0.500
133-0.167 0.167-0.500 -0.167-0.167 0.500 0.167-0.167-0.500 0.333 0.333
0.167
137-0.333 0.333-0.167 -0.333-0.333 0.167 0.333-0.333-0.167
-0.333-0.333-0.167
141 0.333-0.333 0.167 0.333 0.333-0.167 -0.333 0.333 0.167 0.167 0.333
0.333
145-0.167 0.333-0.333 -0.167-0.333 0.333 0.167-0.333-0.333
-0.333-0.167-0.333
149 0.333-0.167 0.333 0.333 0.167-0.333 -0.333 0.167 0.333 0.333 0.167
0.333
153-0.333 0.167-0.333 -0.333-0.167 0.333 0.333-0.167-0.333
-0.167-0.333-0.333
157 0.167-0.333 0.333 0.167 0.333-0.333 -0.167 0.333 0.333 0.500 0.333
0.167
161-0.500 0.333-0.167 -0.500-0.333 0.167 0.500-0.333-0.167
-0.333-0.500-0.167
165 0.333-0.500 0.167 0.333 0.500-0.167 -0.333 0.500 0.167 0.167 0.500
0.333
169-0.167 0.500-0.333 -0.167-0.500 0.333 0.167-0.500-0.333
-0.500-0.167-0.333
173 0.500-0.167 0.333 0.500 0.167-0.333 -0.500 0.167 0.333 0.333 0.167
0.500
177-0.333 0.167-0.500 -0.333-0.167 0.500 0.333-0.167-0.500
-0.167-0.333-0.500
181 0.167-0.333 0.500 0.167 0.333-0.500 -0.167 0.333 0.500 0.500 0.500
0.167
185-0.500 0.500-0.167 0.167 0.500 0.500 -0.167 0.500-0.500
-0.500-0.167-0.500
189 0.500 0.167-0.500 0.333 0.333 0.333 -0.333 0.333-0.333 -0.333-0.333
0.333
193 0.333-0.333-0.333 -0.333-0.333-0.333 0.333-0.333 0.333 0.333
0.333-0.333
197-0.333 0.333 0.333 0.500 0.333 0.333 -0.500 0.333-0.333 -0.500-0.333
0.333
201 0.500-0.333-0.333 -0.333-0.500-0.333 0.333-0.500 0.333 0.333
0.500-0.333
205-0.333 0.500 0.333 0.333 0.333 0.500 -0.333 0.333-0.500 -0.333-0.333
0.500
209 0.333-0.333-0.500 0.500 0.500 0.333 -0.500 0.500-0.333 0.333 0.500
0.500
213-0.333 0.500-0.500 -0.500-0.333-0.500 0.500 0.333-0.500 0.500 0.500
0.500
-P-0000 timing point number 50
-P-0000 -cpu time = 36.52 seconds
-P-0000 -real time = 37.32 seconds
-P-0000
number of q-points found 20
find q-points q = k - k1 and translate in first BZ
q-points [reduced coordinates]
0.000010 0.000020 0.000030
0.166667 0.000000 0.000000
0.333333 0.000000 0.000000
-0.500000 0.000000 0.000000
0.166667 0.166667 0.000000
0.333333 0.166667 0.000000
-0.500000 0.166667 0.000000
0.333333 0.333333 0.000000
-0.500000 0.333333 0.000000
0.500000 -0.500000 0.000000
0.166667 0.166667 0.166667
0.333333 0.166667 0.166667
-0.500000 0.166667 0.166667
0.333333 0.333333 0.166667
-0.500000 0.333333 0.166667
0.500000 -0.500000 0.166667
0.333333 0.333333 0.333333
-0.500000 0.333333 0.333333
0.500000 -0.500000 0.333333
0.500000 0.500000 -0.500000
-P-0000 timing point number 60
-P-0000 -cpu time = 36.54 seconds
-P-0000 -real time = 37.35 seconds
-P-0000
FFT wavefunctions to real space...
done
-P-0000 timing point number 70
-P-0000 -cpu time = 39.03 seconds
-P-0000 -real time = 40.30 seconds
-P-0000
fermi : total number of electrons = 8
fermi : input and calculated number of electrons differ by 0.00000000
top of valence [eV] -4.11
bottom of conduction [eV] -3.61
Fermi energy [eV] -3.86
density: calculating charge density
total number of electrons per unit cell = 7.9995
average of density, n = 0.0167
r_s = 2.4248
omega_plasma = 12.4820 [eV]
-P-0000 timing point number 80
-P-0000 -cpu time = 39.04 seconds
-P-0000 -real time = 40.31 seconds
-P-0000
calculating chi0 at frequencies [eV] :
1 0.000000E+00 0.000000E+00
2 0.000000E+00 1.670000E+01
end of initialization
-P-0000 timing point number 90
-P-0000 -cpu time = 39.04 seconds
-P-0000 -real time = 40.31 seconds
-P-0000
--------------------------------------------------------------------------------
screening : beginning of the main loop
q-point number 1 q = ( 0.000010, 0.000020, 0.000030) [r.l.u.]
-P-0000 timing point number 100
-P-0000 -cpu time = 39.04 seconds
-P-0000 -real time = 40.32 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.00001 0.00002 0.00003
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
limit q->0, including term <n,k|[Vnl,iqr]|n"k>
cchi0q0 : enter
dimension rhotwx= 3
wavefunctions in r and G space are in memory
symmetrization flag = 0
use time reversal = F
spectral method = 0
calculating chi0(q=(0,0,0),omega,G,G")
calculation status ( 216 to be completed) :
cchi0q0 : ik = 1 / 216 is = 1 done by processor 0
cchi0q0 : ik = 2 / 216 is = 1 done by processor 0
cchi0q0 : ik = 3 / 216 is = 1 done by processor 0
cchi0q0 : ik = 4 / 216 is = 1 done by processor 0
cchi0q0 : ik = 5 / 216 is = 1 done by processor 0
cchi0q0 : ik = 6 / 216 is = 1 done by processor 0
cchi0q0 : ik = 7 / 216 is = 1 done by processor 0
cchi0q0 : ik = 8 / 216 is = 1 done by processor 0
cchi0q0 : ik = 9 / 216 is = 1 done by processor 0
cchi0q0 : ik = 10 / 216 is = 1 done by processor 0
cchi0q0 : ik = 11 / 216 is = 1 done by processor 0
cchi0q0 : ik = 12 / 216 is = 1 done by processor 0
cchi0q0 : ik = 13 / 216 is = 1 done by processor 0
cchi0q0 : ik = 14 / 216 is = 1 done by processor 0
cchi0q0 : ik = 15 / 216 is = 1 done by processor 0
cchi0q0 : ik = 16 / 216 is = 1 done by processor 0
cchi0q0 : ik = 17 / 216 is = 1 done by processor 0
cchi0q0 : ik = 18 / 216 is = 1 done by processor 0
cchi0q0 : ik = 19 / 216 is = 1 done by processor 0
cchi0q0 : ik = 20 / 216 is = 1 done by processor 0
cchi0q0 : ik = 21 / 216 is = 1 done by processor 0
cchi0q0 : ik = 22 / 216 is = 1 done by processor 0
cchi0q0 : ik = 23 / 216 is = 1 done by processor 0
cchi0q0 : ik = 24 / 216 is = 1 done by processor 0
cchi0q0 : ik = 25 / 216 is = 1 done by processor 0
cchi0q0 : ik = 26 / 216 is = 1 done by processor 0
cchi0q0 : ik = 27 / 216 is = 1 done by processor 0
-P-0000 timing point number 180
-P-0000 -cpu time = 1999.41 seconds
-P-0000 -real time = 2021.89 seconds
-P-0000
cchi0q0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 1, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 0.000 0.000 0.000 0.001 -0.001 -0.001 0.001 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.000 -12.931 1.738 -1.754 -1.754 -1.743 -1.743 2.046 -0.141
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 1.738 -12.931 -1.754 -1.754 -1.743 -1.743 -0.141 2.046
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.001 -1.754 -1.754 -12.906 1.766 -1.733 -1.733 -0.143 2.048
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.001 -1.754 -1.754 1.766 -12.906 -1.733 -1.733 2.048 -0.143
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.001 -1.743 -1.743 -1.733 -1.733 -12.880 1.794 1.584 1.584
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.001 -1.743 -1.743 -1.733 -1.733 1.794 -12.880 1.584 1.584
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.000 2.046 -0.141 -0.143 2.048 1.584 1.584 -7.287 1.461
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.000 -0.141 2.046 2.048 -0.143 1.584 1.584 1.461 -7.287
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 1, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.000 -1.854 0.053 -0.313 -0.313 -0.311 -0.311 0.485 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.053 -1.854 -0.313 -0.313 -0.311 -0.311 0.017 0.485
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.000 -0.313 -0.313 -1.850 0.057 -0.310 -0.310 0.016 0.486
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.000 -0.313 -0.313 0.057 -1.850 -0.310 -0.310 0.486 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.000 -0.311 -0.311 -0.310 -0.310 -1.847 0.062 0.192 0.192
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.000 -0.311 -0.311 -0.310 -0.310 0.062 -1.847 0.192 0.192
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.000 0.485 0.017 0.016 0.486 0.192 0.192 -1.428 0.120
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.000 0.017 0.485 0.486 0.016 0.192 0.192 0.120 -1.428
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 110
-P-0000 -cpu time = 1999.50 seconds
-P-0000 -real time = 2022.01 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 11.739 0.298 -0.298 -0.595 0.595 0.893 -0.893 -0.112 0.112
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.298 1.527 -0.071 0.071 0.071 0.071 0.071 -0.059 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.298 -0.071 1.527 0.071 0.071 0.071 0.071 0.004 -0.059
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.595 0.071 0.071 1.525 -0.072 0.071 0.071 0.004 -0.059
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.595 0.071 0.071 -0.072 1.525 0.071 0.071 -0.059 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.893 0.071 0.071 0.071 0.071 1.524 -0.073 -0.046 -0.046
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.893 0.071 0.071 0.071 0.071 -0.073 1.524 -0.046 -0.046
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.112 -0.059 0.004 0.004 -0.059 -0.046 -0.046 1.148 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.112 0.004 -0.059 -0.059 0.004 -0.046 -0.046 -0.030 1.148
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.424 0.023 -0.023 -0.046 0.046 0.069 -0.069 -0.008 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.023 1.075 -0.002 0.013 0.013 0.013 0.013 -0.014 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.023 -0.002 1.075 0.013 0.013 0.013 0.013 0.000 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.046 0.013 0.013 1.075 -0.002 0.013 0.013 0.000 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.046 0.013 0.013 -0.002 1.075 0.013 0.013 -0.014 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.069 0.013 0.013 0.013 0.013 1.075 -0.003 -0.006 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.069 0.013 0.013 0.013 0.013 -0.003 1.075 -0.006 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.008 -0.014 0.000 0.000 -0.014 -0.006 -0.006 1.029 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.008 0.000 -0.014 -0.014 0.000 -0.006 -0.006 -0.002 1.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.100 -0.018 0.018 0.037 -0.037 -0.055 0.055 0.007 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.018 0.676 0.035 -0.034 -0.020 -0.017 -0.037 0.029 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.018 0.035 0.676 -0.020 -0.034 -0.037 -0.017 -0.003 0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.037 -0.034 -0.020 0.686 0.025 -0.047 -0.006 -0.002 0.028
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.037 -0.020 -0.034 0.025 0.686 -0.006 -0.047 0.028 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.055 -0.017 -0.037 -0.047 -0.006 0.703 0.009 0.022 0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.055 -0.037 -0.017 -0.006 -0.047 0.009 0.703 0.030 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.007 0.029 -0.003 -0.002 0.028 0.022 0.030 0.880 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.007 -0.003 0.029 0.028 -0.002 0.030 0.022 0.022 0.880
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.709 -0.015 0.015 0.030 -0.030 -0.045 0.045 0.005 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.015 0.932 0.002 -0.011 -0.010 -0.009 -0.011 0.012 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.015 0.002 0.932 -0.010 -0.011 -0.011 -0.009 0.000 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.030 -0.011 -0.010 0.933 0.001 -0.012 -0.008 0.000 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.030 -0.010 -0.011 0.001 0.933 -0.008 -0.012 0.012 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.045 -0.009 -0.011 -0.012 -0.008 0.934 0.000 0.004 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.045 -0.011 -0.009 -0.008 -0.012 0.000 0.934 0.005 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.005 0.012 0.000 0.000 0.012 0.004 0.005 0.972 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.005 0.000 0.012 0.012 0.000 0.005 0.004 0.002 0.972
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
dielectric constant = 9.9647
dielectric constant without local fields = 11.7392
-P-0000 timing point number 190
-P-0000 -cpu time = 2005.22 seconds
-P-0000 -real time = 2029.48 seconds
-P-0000
q-point number 2 q = ( 0.166667, 0.000000, 0.000000) [r.l.u.]
-P-0000 timing point number 200
-P-0000 -cpu time = 2005.22 seconds
-P-0000 -real time = 2029.48 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.16667 0.00000 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 14 preserves q
symq3 : found symmetry 15 preserves q
symq3 : found symmetry 16 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 136621 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 2, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -3.855 -4.252 3.140 0.731 0.731 0.730 0.730 0.266 -0.524
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -4.252 -14.753 1.346 -1.646 -1.646 -1.635 -1.635 2.122 -0.282
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.140 1.346 -10.169 -1.373 -1.373 -1.364 -1.364 0.309 1.761
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.731 -1.646 -1.373 -12.601 1.445 -1.633 -1.633 -1.435 1.505
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.731 -1.646 -1.373 1.445 -12.600 -1.633 -1.633 2.652 0.850
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.730 -1.635 -1.364 -1.633 -1.633 -12.576 1.472 1.790 1.254
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.730 -1.635 -1.364 -1.633 -1.633 1.472 -12.576 1.790 1.254
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.266 2.122 0.309 -1.435 2.652 1.790 1.790 -8.052 1.183
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.524 -0.282 1.761 1.505 0.850 1.254 1.254 1.183 -6.587
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 2, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -0.263 -0.342 0.316 0.062 0.062 0.062 0.062 0.031 -0.060
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.342 -1.913 0.045 -0.294 -0.294 -0.292 -0.292 0.454 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.316 0.045 -1.711 -0.280 -0.280 -0.279 -0.279 0.040 0.492
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.062 -0.294 -0.280 -1.834 0.042 -0.300 -0.300 -0.064 0.455
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.062 -0.294 -0.280 0.042 -1.833 -0.300 -0.300 0.512 0.078
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.062 -0.292 -0.279 -0.300 -0.300 -1.830 0.046 0.208 0.166
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.062 -0.292 -0.279 -0.300 -0.300 0.046 -1.830 0.208 0.166
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.031 0.454 0.040 -0.064 0.512 0.208 0.208 -1.492 0.102
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.060 0.007 0.492 0.455 0.078 0.166 0.166 0.102 -1.358
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 210
-P-0000 -cpu time = 2249.55 seconds
-P-0000 -real time = 2276.70 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 6.651 1.247 -0.658 -0.176 -0.176 -0.176 -0.176 -0.050 0.083
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 1.247 1.865 -0.056 0.079 0.079 0.079 0.079 -0.080 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.658 -0.056 1.304 0.047 0.047 0.047 0.047 -0.008 -0.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.176 0.079 0.047 1.499 -0.057 0.065 0.065 0.044 -0.039
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.176 0.079 0.047 -0.057 1.499 0.065 0.065 -0.082 -0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.176 0.079 0.047 0.065 0.065 1.498 -0.058 -0.055 -0.033
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.176 0.079 0.047 0.065 0.065 -0.058 1.498 -0.055 -0.033
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.050 -0.080 -0.008 0.044 -0.082 -0.055 -0.055 1.193 -0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.083 0.009 -0.040 -0.039 -0.022 -0.033 -0.033 -0.024 1.114
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.385 0.100 -0.066 -0.015 -0.015 -0.015 -0.015 -0.006 0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.100 1.112 -0.002 0.014 0.014 0.014 0.014 -0.017 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.066 -0.002 1.051 0.010 0.010 0.010 0.010 -0.001 -0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.015 0.014 0.010 1.073 -0.002 0.012 0.012 0.002 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.015 0.014 0.010 -0.002 1.073 0.012 0.012 -0.016 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.015 0.014 0.010 0.012 0.012 1.073 -0.002 -0.006 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.015 0.014 0.010 0.012 0.012 -0.002 1.073 -0.006 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.006 -0.017 -0.001 0.002 -0.016 -0.006 -0.006 1.036 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.010 0.000 -0.011 -0.012 -0.002 -0.004 -0.004 -0.002 1.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.188 -0.127 0.084 0.023 0.023 0.023 0.023 0.004 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.127 0.639 -0.027 -0.039 -0.039 -0.039 -0.039 0.031 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.084 -0.027 0.816 -0.010 -0.010 -0.010 -0.010 0.006 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.023 -0.039 -0.010 0.687 0.034 -0.022 -0.022 -0.028 0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.023 -0.039 -0.010 0.034 0.687 -0.022 -0.022 0.042 0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.023 -0.039 -0.010 -0.022 -0.022 0.687 0.035 0.031 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.023 -0.039 -0.010 -0.022 -0.022 0.035 0.687 0.031 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.004 0.031 0.006 -0.028 0.042 0.031 0.031 0.850 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.008 -0.001 0.022 0.021 0.011 0.019 0.019 0.019 0.904
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.730 -0.066 0.045 0.010 0.010 0.010 0.010 0.003 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.066 0.907 -0.002 -0.012 -0.012 -0.012 -0.012 0.014 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.045 -0.002 0.955 -0.007 -0.007 -0.007 -0.007 0.001 0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.010 -0.012 -0.007 0.934 0.002 -0.010 -0.010 -0.002 0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.010 -0.012 -0.007 0.002 0.934 -0.010 -0.010 0.014 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.010 -0.012 -0.007 -0.010 -0.010 0.934 0.002 0.005 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.010 -0.012 -0.007 -0.010 -0.010 0.002 0.934 0.005 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.003 0.014 0.001 -0.002 0.014 0.005 0.005 0.966 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.006 0.001 0.010 0.010 0.002 0.004 0.004 0.002 0.978
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 290
-P-0000 -cpu time = 2255.41 seconds
-P-0000 -real time = 2284.28 seconds
-P-0000
q-point number 3 q = ( 0.333333, 0.000000, 0.000000) [r.l.u.]
-P-0000 timing point number 300
-P-0000 -cpu time = 2255.41 seconds
-P-0000 -real time = 2284.28 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.00000 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 14 preserves q
symq3 : found symmetry 15 preserves q
symq3 : found symmetry 16 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 136621 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 3, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -9.825 -6.725 3.872 1.589 1.589 1.584 1.584 -0.321 -0.639
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -6.725 -15.024 0.790 -1.438 -1.438 -1.428 -1.428 2.023 -0.226
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.872 0.790 -7.738 -0.745 -0.745 -0.736 -0.736 0.613 1.570
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 1.589 -1.438 -0.745 -11.603 0.906 -1.183 -1.183 -2.400 1.170
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.589 -1.438 -0.745 0.906 -11.602 -1.183 -1.183 3.280 1.108
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.584 -1.428 -0.736 -1.183 -1.183 -11.582 0.929 2.014 0.788
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.584 -1.428 -0.736 -1.183 -1.183 0.929 -11.582 2.014 0.788
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.321 2.023 0.613 -2.400 3.280 2.014 2.014 -9.013 0.632
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.639 -0.226 1.570 1.170 1.108 0.788 0.788 0.632 -5.938
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 3, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -0.878 -0.590 0.503 0.193 0.193 0.192 0.192 -0.012 -0.107
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.590 -1.828 0.022 -0.223 -0.223 -0.222 -0.222 0.401 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.503 0.022 -1.533 -0.231 -0.231 -0.229 -0.229 0.067 0.479
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.193 -0.223 -0.231 -1.772 0.018 -0.261 -0.261 -0.125 0.441
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.193 -0.223 -0.231 0.018 -1.771 -0.261 -0.261 0.548 0.090
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.192 -0.222 -0.229 -0.261 -0.261 -1.769 0.021 0.226 0.129
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.192 -0.222 -0.229 -0.261 -0.261 0.021 -1.769 0.226 0.129
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.012 0.401 0.067 -0.125 0.548 0.226 0.226 -1.574 0.058
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.107 0.006 0.479 0.441 0.090 0.129 0.129 0.058 -1.254
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 310
-P-0000 -cpu time = 2469.80 seconds
-P-0000 -real time = 2501.10 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 4.600 1.232 -0.355 -0.184 -0.184 -0.184 -0.184 0.033 0.047
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 1.232 2.376 -0.036 0.083 0.083 0.083 0.083 -0.103 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.355 -0.036 1.177 0.022 0.022 0.021 0.021 -0.016 -0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.184 0.083 0.022 1.425 -0.033 0.043 0.043 0.077 -0.027
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.184 0.083 0.022 -0.033 1.425 0.043 0.043 -0.105 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.184 0.083 0.021 0.043 0.043 1.424 -0.034 -0.065 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.184 0.083 0.021 0.043 0.043 -0.034 1.424 -0.065 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.033 -0.103 -0.016 0.077 -0.105 -0.065 -0.065 1.254 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.047 0.008 -0.029 -0.027 -0.026 -0.018 -0.018 -0.013 1.087
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.322 0.108 -0.046 -0.022 -0.022 -0.022 -0.022 0.001 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.108 1.168 -0.001 0.013 0.013 0.013 0.013 -0.020 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.046 -0.001 1.035 0.007 0.007 0.007 0.007 -0.002 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.022 0.013 0.007 1.065 -0.001 0.010 0.010 0.004 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.022 0.013 0.007 -0.001 1.065 0.010 0.010 -0.018 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.022 0.013 0.007 0.010 0.010 1.065 -0.001 -0.007 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.022 0.013 0.007 0.010 0.010 -0.001 1.065 -0.007 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.001 -0.020 -0.002 0.004 -0.018 -0.007 -0.007 1.044 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.008 0.000 -0.009 -0.010 -0.002 -0.003 -0.003 -0.001 1.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.273 -0.150 0.072 0.038 0.038 0.038 0.038 -0.012 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.150 0.517 -0.022 -0.039 -0.039 -0.039 -0.039 0.039 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.072 -0.022 0.875 0.000 0.000 0.000 0.000 0.007 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.038 -0.039 0.000 0.725 0.023 -0.013 -0.013 -0.049 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.038 -0.039 0.000 0.023 0.725 -0.013 -0.013 0.054 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.038 -0.039 0.000 -0.013 -0.013 0.725 0.023 0.034 0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.038 -0.039 0.000 -0.013 -0.013 0.023 0.725 0.034 0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.012 0.039 0.007 -0.049 0.054 0.034 0.034 0.815 0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.006 -0.001 0.020 0.016 0.015 0.011 0.011 0.011 0.924
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.765 -0.072 0.033 0.016 0.016 0.016 0.016 -0.002 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.072 0.865 -0.002 -0.011 -0.011 -0.011 -0.011 0.016 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.033 -0.002 0.968 -0.005 -0.005 -0.005 -0.005 0.001 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.016 -0.011 -0.005 0.941 0.001 -0.008 -0.008 -0.004 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.016 -0.011 -0.005 0.001 0.941 -0.008 -0.008 0.015 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.016 -0.011 -0.005 -0.008 -0.008 0.941 0.001 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.016 -0.011 -0.005 -0.008 -0.008 0.001 0.941 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.002 0.016 0.001 -0.004 0.015 0.006 0.006 0.959 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.005 0.001 0.008 0.009 0.002 0.002 0.002 0.001 0.982
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 390
-P-0000 -cpu time = 2475.70 seconds
-P-0000 -real time = 2508.73 seconds
-P-0000
q-point number 4 q = (-0.500000, 0.000000, 0.000000) [r.l.u.]
-P-0000 timing point number 400
-P-0000 -cpu time = 2475.70 seconds
-P-0000 -real time = 2508.74 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.00000 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 1 + TimeReversal preserves q
symq3 : found symmetry 2 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 13 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 14 preserves q
symq3 : found symmetry 14 + TimeReversal preserves q
symq3 : found symmetry 15 preserves q
symq3 : found symmetry 15 + TimeReversal preserves q
symq3 : found symmetry 16 preserves q
symq3 : found symmetry 16 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 136621 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 4, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.628 3.296 -7.421 1.920 1.920 1.913 1.913 -0.604 -1.028
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 3.296 -6.072 0.257 -0.402 -0.402 -0.395 -0.395 1.495 0.749
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -7.421 0.257 -13.628 -1.028 -1.028 -1.022 -1.022 -0.110 1.920
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 1.920 -0.402 -1.028 -10.260 0.451 -0.542 -0.542 0.799 3.554
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.920 -0.402 -1.028 0.451 -10.260 -0.542 -0.542 1.175 -2.744
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.913 -0.395 -1.022 -0.542 -0.542 -10.247 0.467 0.420 2.118
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.913 -0.395 -1.022 -0.542 -0.542 0.467 -10.246 0.420 2.118
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.604 1.495 -0.110 0.799 1.175 0.420 0.420 -5.179 0.079
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -1.028 0.749 1.920 3.554 -2.744 2.118 2.118 0.079 -10.260
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 4, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.481 0.546 -0.675 0.314 0.314 0.313 0.313 -0.134 -0.115
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.546 -1.374 -0.005 -0.203 -0.203 -0.202 -0.202 0.455 0.087
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.675 -0.005 -1.481 -0.115 -0.115 -0.114 -0.114 0.010 0.314
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.314 -0.203 -0.115 -1.674 0.011 -0.199 -0.199 0.060 0.565
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.314 -0.203 -0.115 0.011 -1.674 -0.199 -0.199 0.434 -0.146
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.313 -0.202 -0.114 -0.199 -0.199 -1.673 0.013 0.094 0.234
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.313 -0.202 -0.114 -0.199 -0.199 0.013 -1.673 0.094 0.234
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.134 0.455 0.010 0.060 0.434 0.094 0.094 -1.127 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.115 0.087 0.314 0.565 -0.146 0.234 0.234 0.019 -1.674
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 410
-P-0000 -cpu time = 2689.62 seconds
-P-0000 -real time = 2725.67 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 3.220 -0.179 1.209 -0.140 -0.140 -0.139 -0.139 0.027 0.075
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.179 1.110 -0.014 0.010 0.010 0.010 0.010 -0.023 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 1.209 -0.014 3.220 0.075 0.075 0.074 0.074 0.005 -0.140
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.140 0.010 0.075 1.334 -0.015 0.018 0.018 -0.016 -0.116
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.140 0.010 0.075 -0.015 1.334 0.018 0.018 -0.024 0.089
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.139 0.010 0.074 0.018 0.018 1.334 -0.015 -0.008 -0.069
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.139 0.010 0.074 0.018 0.018 -0.015 1.334 -0.008 -0.069
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.027 -0.023 0.005 -0.016 -0.024 -0.008 -0.008 1.065 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.075 -0.018 -0.140 -0.116 0.089 -0.069 -0.069 -0.002 1.334
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.241 -0.030 0.110 -0.023 -0.023 -0.023 -0.023 0.006 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.030 1.025 0.000 0.005 0.005 0.005 0.005 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.110 0.000 1.241 0.008 0.008 0.008 0.008 0.000 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.023 0.005 0.008 1.055 0.000 0.006 0.006 -0.001 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.023 0.005 0.008 0.000 1.055 0.006 0.006 -0.009 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.023 0.005 0.008 0.006 0.006 1.054 0.000 -0.002 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.023 0.005 0.008 0.006 0.006 0.000 1.054 -0.002 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.006 -0.007 0.000 -0.001 -0.009 -0.002 -0.002 1.014 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.008 -0.002 -0.023 -0.018 0.005 -0.008 -0.008 0.000 1.055
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.387 0.055 -0.156 0.042 0.042 0.042 0.042 -0.006 -0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.055 0.913 -0.016 0.002 0.002 0.002 0.002 0.018 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.156 -0.016 0.387 -0.029 -0.029 -0.028 -0.028 0.001 0.042
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.042 0.002 -0.029 0.772 0.011 -0.002 -0.002 0.009 0.059
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.042 0.002 -0.029 0.011 0.772 -0.002 -0.002 0.016 -0.057
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.042 0.002 -0.028 -0.002 -0.002 0.772 0.011 0.006 0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.042 0.002 -0.028 -0.002 -0.002 0.011 0.772 0.006 0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.006 0.018 0.001 0.009 0.016 0.006 0.006 0.942 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.029 0.008 0.042 0.059 -0.057 0.035 0.035 0.002 0.772
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.815 0.023 -0.073 0.017 0.017 0.017 0.017 -0.005 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.023 0.977 -0.002 -0.004 -0.004 -0.004 -0.004 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.073 -0.002 0.815 -0.007 -0.007 -0.007 -0.007 0.001 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.017 -0.004 -0.007 0.950 0.001 -0.005 -0.005 0.001 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.017 -0.004 -0.007 0.001 0.950 -0.005 -0.005 0.008 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.017 -0.004 -0.007 -0.005 -0.005 0.950 0.001 0.002 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.017 -0.004 -0.007 -0.005 -0.005 0.001 0.950 0.002 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.005 0.006 0.001 0.001 0.008 0.002 0.002 0.986 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.007 0.002 0.017 0.016 -0.005 0.006 0.006 0.000 0.950
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 490
-P-0000 -cpu time = 2695.23 seconds
-P-0000 -real time = 2733.19 seconds
-P-0000
q-point number 5 q = ( 0.166667, 0.166667, 0.000000) [r.l.u.]
-P-0000 timing point number 500
-P-0000 -cpu time = 2695.23 seconds
-P-0000 -real time = 2733.19 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.16667 0.16667 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 7 preserves q
findggp : number of independent (G,G') pairs found = 273085 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 5, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -6.620 -2.863 3.139 3.137 -2.866 1.264 1.264 1.764 -0.087
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -2.863 -14.565 1.109 -1.797 -0.792 -1.620 -1.620 2.623 0.586
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.139 1.109 -9.979 -0.716 -1.801 -1.225 -1.226 -0.839 1.418
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 3.137 -1.797 -0.716 -9.962 1.131 -1.217 -1.217 -0.842 1.422
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.866 -0.792 -1.801 1.131 -14.551 -1.613 -1.613 2.622 0.586
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.264 -1.620 -1.225 -1.217 -1.613 -12.328 1.221 1.747 0.797
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.264 -1.620 -1.226 -1.217 -1.613 1.221 -12.328 1.747 0.797
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 1.764 2.623 -0.839 -0.842 2.622 1.747 1.747 -8.623 1.254
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.087 0.586 1.418 1.422 0.586 0.797 0.797 1.254 -5.764
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 5, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -0.491 -0.249 0.338 0.338 -0.250 0.113 0.113 0.160 -0.043
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.249 -1.891 0.030 -0.292 -0.217 -0.284 -0.284 0.457 0.051
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.338 0.030 -1.700 -0.245 -0.293 -0.270 -0.270 -0.037 0.459
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.338 -0.292 -0.245 -1.697 0.034 -0.269 -0.269 -0.038 0.460
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.250 -0.217 -0.293 0.034 -1.889 -0.283 -0.283 0.458 0.050
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.113 -0.284 -0.270 -0.269 -0.283 -1.813 0.031 0.196 0.118
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.113 -0.284 -0.270 -0.269 -0.283 0.031 -1.813 0.196 0.118
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.160 0.457 -0.037 -0.038 0.458 0.196 0.196 -1.520 0.118
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.043 0.051 0.459 0.460 0.050 0.118 0.118 0.118 -1.263
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 510
-P-0000 -cpu time = 2909.68 seconds
-P-0000 -real time = 2950.28 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 5.852 0.582 -0.460 -0.460 0.583 -0.213 -0.213 -0.259 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.582 1.821 -0.045 0.073 0.045 0.076 0.076 -0.107 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.460 -0.045 1.293 0.021 0.073 0.041 0.041 0.025 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.460 0.073 0.021 1.292 -0.046 0.041 0.041 0.025 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.583 0.045 0.073 -0.046 1.820 0.075 0.075 -0.107 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.213 0.076 0.041 0.041 0.075 1.476 -0.047 -0.059 -0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.213 0.076 0.041 0.041 0.075 -0.047 1.476 -0.059 -0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.259 -0.107 0.025 0.025 -0.107 -0.059 -0.059 1.253 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.009 -0.017 -0.030 -0.030 -0.017 -0.019 -0.019 -0.026 1.086
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.360 0.051 -0.050 -0.050 0.051 -0.019 -0.019 -0.023 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.051 1.107 -0.001 0.012 0.012 0.013 0.013 -0.019 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.050 -0.001 1.050 0.007 0.012 0.009 0.009 0.001 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.050 0.012 0.007 1.050 -0.001 0.009 0.009 0.001 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.051 0.012 0.012 -0.001 1.107 0.013 0.013 -0.019 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.019 0.013 0.009 0.009 0.013 1.070 -0.001 -0.007 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.019 0.013 0.009 0.009 0.013 -0.001 1.070 -0.007 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.023 -0.019 0.001 0.001 -0.019 -0.007 -0.007 1.045 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.005 -0.001 -0.010 -0.010 -0.001 -0.003 -0.003 -0.002 1.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.202 -0.067 0.067 0.067 -0.067 0.031 0.031 0.032 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.067 0.588 0.002 -0.049 0.015 -0.034 -0.034 0.035 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.067 0.002 0.808 0.013 -0.049 -0.008 -0.008 -0.007 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.067 -0.049 0.013 0.808 0.002 -0.008 -0.008 -0.007 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.067 0.015 -0.049 0.002 0.588 -0.034 -0.034 0.035 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.031 -0.034 -0.008 -0.008 -0.034 0.699 0.031 0.035 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.031 -0.034 -0.008 -0.008 -0.034 0.031 0.699 0.035 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.032 0.035 -0.007 -0.007 0.035 0.035 0.035 0.818 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.000 0.007 0.020 0.020 0.007 0.012 0.012 0.020 0.925
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.742 -0.034 0.035 0.035 -0.034 0.013 0.013 0.016 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.034 0.907 0.000 -0.011 -0.008 -0.011 -0.011 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.035 0.000 0.955 -0.004 -0.011 -0.007 -0.007 -0.001 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.035 -0.011 -0.004 0.955 0.000 -0.007 -0.007 -0.001 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.034 -0.008 -0.011 0.000 0.907 -0.011 -0.011 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.013 -0.011 -0.007 -0.007 -0.011 0.936 0.002 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.013 -0.011 -0.007 -0.007 -0.011 0.002 0.936 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.016 0.015 -0.001 -0.001 0.015 0.006 0.006 0.959 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.003 0.001 0.009 0.009 0.001 0.002 0.002 0.002 0.982
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 590
-P-0000 -cpu time = 2915.35 seconds
-P-0000 -real time = 2957.65 seconds
-P-0000
q-point number 6 q = ( 0.333333, 0.166667, 0.000000) [r.l.u.]
-P-0000 timing point number 600
-P-0000 -cpu time = 2915.35 seconds
-P-0000 -real time = 2957.65 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.16667 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 6, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -10.894 -5.237 3.635 2.762 -0.645 1.850 1.850 1.875 0.106
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -5.237 -14.970 0.628 -2.072 0.107 -1.478 -1.478 1.981 0.269
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.635 0.628 -7.781 -0.233 -1.293 -0.656 -0.656 -0.050 1.541
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.762 -2.072 -0.233 -9.479 0.681 -0.821 -0.821 -1.852 1.239
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.645 0.107 -1.293 0.681 -13.366 -1.254 -1.254 3.468 0.887
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.850 -1.478 -0.656 -0.821 -1.254 -11.426 0.744 1.802 0.354
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.850 -1.478 -0.656 -0.821 -1.254 0.744 -11.427 1.802 0.354
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 1.875 1.981 -0.050 -1.852 3.468 1.802 1.802 -9.578 0.960
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.106 0.269 1.541 1.239 0.887 0.354 0.354 0.960 -5.047
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 6, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.005 -0.482 0.494 0.375 -0.039 0.220 0.220 0.189 -0.051
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.482 -1.809 0.008 -0.280 -0.071 -0.221 -0.221 0.351 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.494 0.008 -1.532 -0.213 -0.246 -0.226 -0.226 0.019 0.457
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.375 -0.280 -0.213 -1.664 0.009 -0.241 -0.241 -0.098 0.446
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.039 -0.071 -0.246 0.009 -1.806 -0.245 -0.245 0.482 0.055
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.220 -0.221 -0.226 -0.241 -0.245 -1.751 0.006 0.193 0.075
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.220 -0.221 -0.226 -0.241 -0.245 0.006 -1.751 0.192 0.075
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.189 0.351 0.019 -0.098 0.482 0.193 0.192 -1.577 0.103
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.051 0.017 0.457 0.446 0.055 0.075 0.075 0.103 -1.148
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 610
-P-0000 -cpu time = 3097.40 seconds
-P-0000 -real time = 3142.10 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 4.194 0.833 -0.296 -0.249 0.078 -0.189 -0.189 -0.192 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.833 2.291 -0.028 0.101 -0.007 0.082 0.082 -0.110 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.296 -0.028 1.175 0.006 0.044 0.019 0.019 0.001 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.249 0.101 0.006 1.262 -0.025 0.026 0.026 0.058 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.078 -0.007 0.044 -0.025 1.676 0.053 0.053 -0.147 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.189 0.082 0.019 0.026 0.053 1.409 -0.027 -0.064 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.189 0.082 0.019 0.026 0.053 -0.027 1.409 -0.064 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.192 -0.110 0.001 0.058 -0.147 -0.064 -0.064 1.342 -0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.007 -0.009 -0.026 -0.023 -0.023 -0.008 -0.008 -0.021 1.065
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.295 0.077 -0.040 -0.034 0.005 -0.022 -0.022 -0.019 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.077 1.156 0.000 0.014 0.005 0.012 0.012 -0.019 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.040 0.000 1.035 0.005 0.008 0.006 0.006 -0.001 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.034 0.014 0.005 1.046 0.000 0.008 0.008 0.003 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.005 0.005 0.008 0.000 1.091 0.010 0.010 -0.020 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.022 0.012 0.006 0.008 0.010 1.063 0.000 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.022 0.012 0.006 0.008 0.010 0.000 1.063 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.019 -0.019 -0.001 0.003 -0.020 -0.007 -0.007 1.056 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.003 -0.001 -0.008 -0.008 -0.001 -0.002 -0.002 -0.002 1.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.279 -0.109 0.063 0.055 -0.017 0.041 0.041 0.033 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.109 0.494 -0.011 -0.052 0.017 -0.037 -0.037 0.023 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.063 -0.011 0.872 0.012 -0.022 0.001 0.001 0.004 0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.055 -0.052 0.012 0.817 0.009 -0.003 -0.003 -0.032 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.017 0.017 -0.022 0.009 0.616 -0.021 -0.021 0.063 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.041 -0.037 0.001 -0.003 -0.021 0.732 0.021 0.036 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.041 -0.037 0.001 -0.003 -0.021 0.021 0.732 0.036 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.033 0.023 0.004 -0.032 0.063 0.036 0.036 0.767 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.003 0.002 0.021 0.017 0.012 0.006 0.006 0.016 0.942
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.779 -0.053 0.030 0.025 -0.004 0.016 0.016 0.014 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.053 0.871 -0.001 -0.012 -0.003 -0.010 -0.010 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.030 -0.001 0.968 -0.004 -0.007 -0.005 -0.005 0.001 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.025 -0.012 -0.004 0.958 0.000 -0.006 -0.006 -0.003 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.004 -0.003 -0.007 0.000 0.918 -0.009 -0.009 0.017 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.016 -0.010 -0.005 -0.006 -0.009 0.943 0.001 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.016 -0.010 -0.005 -0.006 -0.009 0.001 0.943 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.014 0.015 0.001 -0.003 0.017 0.006 0.006 0.948 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.002 0.001 0.007 0.008 0.001 0.001 0.001 0.002 0.986
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 690
-P-0000 -cpu time = 3103.08 seconds
-P-0000 -real time = 3158.55 seconds
-P-0000
q-point number 7 q = (-0.500000, 0.166667, 0.000000) [r.l.u.]
-P-0000 timing point number 700
-P-0000 -cpu time = 3103.08 seconds
-P-0000 -real time = 3158.55 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.16667 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 7, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.768 3.181 -5.989 2.268 0.957 2.068 2.068 -1.198 -2.157
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 3.181 -6.174 0.134 -0.156 -0.807 -0.381 -0.381 1.292 0.640
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -5.989 0.134 -13.768 -2.157 1.064 -1.166 -1.166 -0.202 2.268
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.268 -0.156 -2.157 -8.833 0.261 -0.350 -0.350 0.797 2.545
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.957 -0.807 1.064 0.261 -11.350 -0.600 -0.600 1.088 -2.313
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 2.068 -0.381 -1.166 -0.350 -0.600 -10.116 0.299 0.747 2.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.068 -0.381 -1.166 -0.350 -0.600 0.299 -10.116 0.746 2.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.198 1.292 -0.202 0.797 1.088 0.747 0.746 -5.820 -0.222
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -2.157 0.640 2.268 2.545 -2.313 2.024 2.024 -0.222 -8.833
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 7, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.501 0.537 -0.565 0.408 0.178 0.326 0.326 -0.193 -0.241
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.537 -1.374 -0.019 -0.203 -0.211 -0.203 -0.203 0.450 0.082
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.565 -0.019 -1.501 -0.242 0.091 -0.131 -0.131 0.026 0.408
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.408 -0.203 -0.242 -1.609 0.000 -0.200 -0.200 0.071 0.547
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.178 -0.211 0.091 0.000 -1.680 -0.182 -0.182 0.428 -0.119
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.326 -0.203 -0.131 -0.200 -0.182 -1.658 -0.003 0.134 0.243
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.326 -0.203 -0.131 -0.200 -0.182 -0.003 -1.658 0.133 0.244
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.193 0.450 0.026 0.071 0.428 0.134 0.133 -1.222 -0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.241 0.082 0.408 0.547 -0.119 0.243 0.244 -0.020 -1.609
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 710
-P-0000 -cpu time = 3284.72 seconds
-P-0000 -real time = 3342.28 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 3.018 -0.163 0.878 -0.138 -0.076 -0.141 -0.141 0.054 0.131
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.163 1.110 -0.007 0.003 0.022 0.009 0.009 -0.020 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.878 -0.007 3.018 0.131 -0.085 0.080 0.080 0.009 -0.138
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.138 0.003 0.131 1.223 -0.009 0.010 0.010 -0.015 -0.064
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.076 0.022 -0.085 -0.009 1.489 0.022 0.022 -0.027 0.076
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.141 0.009 0.080 0.010 0.022 1.322 -0.010 -0.016 -0.057
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.141 0.009 0.080 0.010 0.022 -0.010 1.322 -0.016 -0.057
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.054 -0.020 0.009 -0.015 -0.027 -0.016 -0.016 1.080 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.131 -0.014 -0.138 -0.064 0.076 -0.057 -0.057 0.004 1.223
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.220 -0.028 0.083 -0.025 -0.014 -0.022 -0.022 0.009 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.028 1.025 0.001 0.004 0.006 0.005 0.005 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.083 0.001 1.220 0.015 -0.007 0.009 0.009 -0.001 -0.025
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.025 0.004 0.015 1.041 0.000 0.006 0.006 -0.001 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.014 0.006 -0.007 0.000 1.072 0.007 0.007 -0.010 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.022 0.005 0.009 0.006 0.007 1.053 0.000 -0.003 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.022 0.005 0.009 0.006 0.007 0.000 1.053 -0.003 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.009 -0.007 -0.001 -0.001 -0.010 -0.003 -0.003 1.017 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.015 -0.002 -0.025 -0.014 0.004 -0.007 -0.007 0.000 1.041
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.385 0.052 -0.123 0.048 0.010 0.044 0.044 -0.014 -0.045
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.052 0.912 -0.013 0.006 -0.009 0.002 0.002 0.014 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.123 -0.013 0.385 -0.045 0.023 -0.029 -0.029 0.001 0.048
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.048 0.006 -0.045 0.839 0.002 0.002 0.002 0.008 0.033
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.010 -0.009 0.023 0.002 0.693 -0.007 -0.007 0.016 -0.043
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.044 0.002 -0.029 0.002 -0.007 0.778 0.009 0.010 0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.044 0.002 -0.029 0.002 -0.007 0.009 0.778 0.010 0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.014 0.014 0.001 0.008 0.016 0.010 0.010 0.930 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.045 0.004 0.048 0.033 -0.043 0.029 0.029 -0.001 0.839
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.826 0.022 -0.057 0.020 0.010 0.017 0.017 -0.007 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.022 0.977 -0.002 -0.003 -0.005 -0.004 -0.004 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.057 -0.002 0.826 -0.012 0.006 -0.008 -0.008 0.001 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.020 -0.003 -0.012 0.962 0.000 -0.004 -0.004 0.001 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.010 -0.005 0.006 0.000 0.934 -0.005 -0.005 0.009 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.017 -0.004 -0.008 -0.004 -0.005 0.951 0.000 0.002 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.017 -0.004 -0.008 -0.004 -0.005 0.000 0.951 0.002 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.007 0.006 0.001 0.001 0.009 0.002 0.002 0.984 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.012 0.001 0.020 0.012 -0.004 0.006 0.006 0.000 0.962
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 790
-P-0000 -cpu time = 3290.44 seconds
-P-0000 -real time = 3349.69 seconds
-P-0000
q-point number 8 q = ( 0.333333, 0.333333, 0.000000) [r.l.u.]
-P-0000 timing point number 800
-P-0000 -cpu time = 3290.44 seconds
-P-0000 -real time = 3349.70 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.33333 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 7 preserves q
findggp : number of independent (G,G') pairs found = 273085 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 8, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -12.296 -2.430 2.880 2.880 -2.434 2.054 2.054 3.083 0.495
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -2.430 -13.885 0.333 -1.884 1.752 -1.260 -1.260 2.432 0.446
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 2.880 0.333 -7.793 0.023 -1.890 -0.425 -0.425 -0.798 1.469
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.880 -1.884 0.023 -7.787 0.347 -0.420 -0.420 -0.798 1.471
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.434 1.752 -1.890 0.347 -13.884 -1.257 -1.257 2.432 0.445
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 2.054 -1.260 -0.425 -0.420 -1.257 -10.742 0.376 1.626 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.054 -1.260 -0.425 -0.420 -1.257 0.376 -10.743 1.626 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 3.083 2.432 -0.798 -0.798 2.432 1.626 1.626 -10.299 1.070
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.495 0.446 1.469 1.471 0.445 -0.030 -0.030 1.070 -4.235
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 8, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.280 -0.230 0.471 0.472 -0.231 0.279 0.279 0.305 -0.039
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.230 -1.739 -0.017 -0.265 0.129 -0.205 -0.205 0.317 0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.471 -0.017 -1.522 -0.207 -0.266 -0.214 -0.214 -0.023 0.442
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.472 -0.265 -0.207 -1.521 -0.014 -0.213 -0.213 -0.024 0.442
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.231 0.129 -0.266 -0.014 -1.739 -0.204 -0.204 0.318 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.279 -0.205 -0.214 -0.213 -0.204 -1.693 -0.021 0.164 0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.279 -0.205 -0.214 -0.213 -0.204 -0.021 -1.693 0.164 0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.305 0.317 -0.023 -0.024 0.318 0.164 0.164 -1.598 0.124
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.039 0.010 0.442 0.442 0.009 0.035 0.035 0.124 -1.031
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 810
-P-0000 -cpu time = 3479.61 seconds
-P-0000 -real time = 3541.11 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 3.253 0.282 -0.181 -0.181 0.282 -0.160 -0.161 -0.282 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.282 2.018 -0.013 0.075 -0.128 0.062 0.062 -0.141 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.181 -0.013 1.168 0.000 0.075 0.011 0.011 0.025 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.181 0.075 0.000 1.168 -0.014 0.011 0.011 0.025 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.282 -0.128 0.075 -0.014 2.018 0.062 0.062 -0.141 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.160 0.062 0.011 0.011 0.062 1.358 -0.013 -0.064 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.161 0.062 0.011 0.011 0.062 -0.013 1.358 -0.064 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.282 -0.141 0.025 0.025 -0.141 -0.064 -0.064 1.472 -0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.023 -0.013 -0.023 -0.023 -0.013 0.001 0.001 -0.024 1.048
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.235 0.027 -0.030 -0.030 0.027 -0.022 -0.022 -0.028 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.027 1.127 0.001 0.011 -0.009 0.010 0.010 -0.018 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.030 0.001 1.033 0.004 0.011 0.006 0.006 0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.030 0.011 0.004 1.033 0.001 0.006 0.006 0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.027 -0.009 0.011 0.001 1.127 0.010 0.010 -0.018 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.022 0.010 0.006 0.006 0.010 1.056 0.001 -0.006 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.022 0.010 0.006 0.006 0.010 0.001 1.056 -0.006 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.028 -0.018 0.001 0.001 -0.018 -0.006 -0.006 1.073 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.002 0.000 -0.007 -0.007 0.000 -0.001 -0.001 -0.003 1.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.339 -0.055 0.050 0.050 -0.055 0.043 0.043 0.059 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.055 0.523 -0.003 -0.036 0.051 -0.026 -0.026 0.039 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.050 -0.003 0.872 0.011 -0.037 0.002 0.002 -0.010 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.050 -0.036 0.011 0.872 -0.003 0.002 0.002 -0.010 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.055 0.051 -0.037 -0.003 0.523 -0.026 -0.026 0.039 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.043 -0.026 0.002 0.002 -0.026 0.756 0.013 0.035 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.043 -0.026 0.002 0.002 -0.026 0.013 0.756 0.035 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.059 0.039 -0.010 -0.010 0.039 0.035 0.035 0.706 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.008 0.006 0.019 0.019 0.006 0.001 0.001 0.017 0.957
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.814 -0.020 0.023 0.023 -0.020 0.017 0.017 0.021 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.020 0.889 -0.001 -0.009 0.009 -0.008 -0.008 0.014 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.023 -0.001 0.969 -0.003 -0.009 -0.004 -0.004 0.000 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.023 -0.009 -0.003 0.969 -0.001 -0.004 -0.004 0.000 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.020 0.009 -0.009 -0.001 0.889 -0.008 -0.008 0.014 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.017 -0.008 -0.004 -0.004 -0.008 0.948 0.000 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.017 -0.008 -0.004 -0.004 -0.008 0.000 0.948 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.021 0.014 0.000 0.000 0.014 0.006 0.006 0.934 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.001 0.000 0.007 0.007 0.000 0.001 0.001 0.003 0.989
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 890
-P-0000 -cpu time = 3485.41 seconds
-P-0000 -real time = 3563.13 seconds
-P-0000
q-point number 9 q = (-0.500000, 0.333333, 0.000000) [r.l.u.]
-P-0000 timing point number 900
-P-0000 -cpu time = 3485.41 seconds
-P-0000 -real time = 3563.13 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.33333 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 9, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.320 2.646 -3.084 2.034 0.308 2.069 2.069 -1.800 -2.280
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 2.646 -6.359 0.029 -0.060 -1.445 -0.292 -0.292 1.195 0.406
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -3.084 0.029 -13.320 -2.280 2.935 -1.168 -1.169 -0.121 2.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.034 -0.060 -2.280 -7.579 0.075 -0.123 -0.123 0.538 1.705
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.308 -1.445 2.935 0.075 -11.895 -0.782 -0.782 1.233 -1.275
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 2.069 -0.292 -1.168 -0.123 -0.782 -9.620 0.045 1.070 1.644
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.069 -0.292 -1.169 -0.123 -0.782 0.045 -9.620 1.070 1.644
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.800 1.195 -0.121 0.538 1.233 1.070 1.070 -6.215 -0.321
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -2.280 0.406 2.034 1.705 -1.275 1.644 1.644 -0.321 -7.579
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 9, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.549 0.504 -0.302 0.452 0.059 0.349 0.349 -0.240 -0.270
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.504 -1.369 -0.035 -0.212 -0.235 -0.202 -0.202 0.449 0.066
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.302 -0.035 -1.549 -0.270 0.278 -0.155 -0.155 0.040 0.452
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.452 -0.212 -0.270 -1.490 -0.018 -0.194 -0.194 0.061 0.497
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.059 -0.235 0.278 -0.018 -1.652 -0.167 -0.167 0.436 -0.042
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.349 -0.202 -0.155 -0.194 -0.167 -1.617 -0.026 0.166 0.221
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.349 -0.202 -0.155 -0.194 -0.167 -0.026 -1.617 0.166 0.221
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.240 0.449 0.040 0.061 0.436 0.166 0.166 -1.295 -0.028
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.270 0.066 0.452 0.497 -0.042 0.221 0.221 -0.028 -1.490
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 910
-P-0000 -cpu time = 3652.71 seconds
-P-0000 -real time = 3732.09 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.502 -0.117 0.348 -0.097 -0.025 -0.120 -0.120 0.074 0.108
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.117 1.110 -0.001 0.001 0.046 0.007 0.007 -0.019 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.348 -0.001 2.502 0.108 -0.239 0.068 0.068 0.005 -0.097
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.097 0.001 0.108 1.152 -0.003 0.003 0.003 -0.009 -0.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.025 0.046 -0.239 -0.003 1.697 0.033 0.033 -0.037 0.044
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.120 0.007 0.068 0.003 0.033 1.288 -0.001 -0.023 -0.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.120 0.007 0.068 0.003 0.033 -0.001 1.288 -0.023 -0.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.074 -0.019 0.005 -0.009 -0.037 -0.023 -0.023 1.094 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.108 -0.008 -0.097 -0.034 0.044 -0.040 -0.040 0.006 1.152
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.175 -0.022 0.034 -0.022 -0.005 -0.020 -0.020 0.010 0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.022 1.024 0.002 0.004 0.007 0.005 0.005 -0.007 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.034 0.002 1.175 0.013 -0.023 0.009 0.009 -0.002 -0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.022 0.004 0.013 1.030 0.001 0.005 0.005 -0.001 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.005 0.007 -0.023 0.001 1.097 0.007 0.007 -0.013 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.020 0.005 0.009 0.005 0.007 1.048 0.001 -0.004 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.020 0.005 0.009 0.005 0.007 0.001 1.048 -0.004 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.010 -0.007 -0.002 -0.001 -0.013 -0.004 -0.004 1.020 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.013 -0.001 -0.022 -0.010 0.001 -0.005 -0.005 0.000 1.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.431 0.043 -0.070 0.036 -0.004 0.043 0.043 -0.024 -0.039
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.043 0.910 -0.007 0.005 -0.022 0.002 0.002 0.012 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.070 -0.007 0.431 -0.039 0.066 -0.025 -0.025 0.002 0.036
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.036 0.005 -0.039 0.881 -0.004 0.005 0.005 0.004 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.004 -0.022 0.066 -0.004 0.613 -0.013 -0.013 0.019 -0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.043 0.002 -0.025 0.005 -0.013 0.794 0.006 0.013 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.043 0.002 -0.025 0.005 -0.013 0.006 0.794 0.013 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.024 0.012 0.002 0.004 0.019 0.013 0.013 0.920 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.039 0.002 0.036 0.020 -0.020 0.022 0.022 -0.002 0.881
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.854 0.018 -0.026 0.018 0.003 0.016 0.016 -0.008 -0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.018 0.978 -0.002 -0.003 -0.006 -0.004 -0.004 0.007 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.026 -0.002 0.854 -0.011 0.018 -0.007 -0.007 0.002 0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.018 -0.003 -0.011 0.972 -0.001 -0.004 -0.004 0.001 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.003 -0.006 0.018 -0.001 0.913 -0.006 -0.006 0.011 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.016 -0.004 -0.007 -0.004 -0.006 0.955 0.000 0.003 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.016 -0.004 -0.007 -0.004 -0.006 0.000 0.955 0.003 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.008 0.007 0.002 0.001 0.011 0.003 0.003 0.981 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.011 0.001 0.018 0.009 -0.001 0.005 0.005 0.000 0.972
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 990
-P-0000 -cpu time = 3658.55 seconds
-P-0000 -real time = 3745.61 seconds
-P-0000
q-point number 10 q = ( 0.500000,-0.500000, 0.000000) [r.l.u.]
-P-0000 timing point number 1000
-P-0000 -cpu time = 3658.55 seconds
-P-0000 -real time = 3745.61 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.50000-0.50000 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 1 + TimeReversal preserves q
symq3 : found symmetry 2 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 5 preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 6 preserves q
symq3 : found symmetry 6 + TimeReversal preserves q
symq3 : found symmetry 7 preserves q
symq3 : found symmetry 7 + TimeReversal preserves q
symq3 : found symmetry 8 preserves q
symq3 : found symmetry 8 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 273085 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 10, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -12.457 0.134 1.834 0.132 1.835 1.840 1.840 -1.911 -1.918
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.134 -12.457 0.109 3.713 -1.912 -0.967 -0.967 1.836 0.082
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 1.834 0.109 -6.395 -1.918 -0.170 -0.119 -0.119 0.148 1.180
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.132 3.713 -1.918 -12.457 0.121 -0.965 -0.965 0.083 1.834
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.835 -1.912 -0.170 0.121 -6.390 -0.116 -0.116 1.182 0.145
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.840 -0.967 -0.119 -0.965 -0.116 -8.842 -0.010 1.222 1.223
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.840 -0.967 -0.119 -0.965 -0.116 -0.010 -8.842 1.222 1.223
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.911 1.836 0.148 0.083 1.182 1.222 1.222 -6.390 -0.302
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -1.918 0.082 1.180 1.834 0.145 1.223 1.223 -0.302 -6.395
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 10, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.601 0.014 0.464 0.013 0.464 0.378 0.378 -0.251 -0.252
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.014 -1.601 -0.025 0.349 -0.251 -0.162 -0.162 0.465 0.052
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.464 -0.025 -1.344 -0.252 -0.222 -0.194 -0.194 0.040 0.449
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.013 0.349 -0.252 -1.601 -0.022 -0.161 -0.161 0.052 0.464
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.464 -0.251 -0.222 -0.022 -1.343 -0.193 -0.193 0.450 0.038
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.378 -0.162 -0.194 -0.161 -0.193 -1.564 -0.023 0.183 0.183
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.378 -0.162 -0.194 -0.161 -0.193 -0.023 -1.564 0.183 0.183
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.251 0.465 0.040 0.052 0.450 0.183 0.183 -1.343 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.252 0.052 0.449 0.464 0.038 0.183 0.183 -0.012 -1.344
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1010
-P-0000 -cpu time = 3823.49 seconds
-P-0000 -real time = 3912.22 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.014 -0.011 -0.067 -0.011 -0.067 -0.087 -0.087 0.070 0.070
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.011 2.014 -0.004 -0.302 0.070 0.045 0.045 -0.067 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.067 -0.004 1.104 0.070 0.003 0.003 0.003 -0.002 -0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.011 -0.302 0.070 2.014 -0.004 0.045 0.045 -0.003 -0.067
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.067 0.070 0.003 -0.004 1.104 0.002 0.002 -0.019 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.087 0.045 0.003 0.045 0.002 1.240 0.000 -0.026 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.087 0.045 0.003 0.045 0.002 0.000 1.240 -0.026 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.070 -0.067 -0.002 -0.003 -0.019 -0.026 -0.026 1.104 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.070 -0.003 -0.019 -0.067 -0.002 -0.026 -0.026 0.005 1.104
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.130 -0.001 -0.017 -0.001 -0.017 -0.018 -0.018 0.009 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.001 1.130 0.001 -0.028 0.009 0.008 0.008 -0.017 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.017 0.001 1.022 0.009 0.004 0.004 0.004 -0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.001 -0.028 0.009 1.130 0.001 0.008 0.008 -0.002 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.017 0.009 0.004 0.001 1.022 0.004 0.004 -0.007 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.018 0.008 0.004 0.008 0.004 1.042 0.001 -0.004 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.018 0.008 0.004 0.008 0.004 0.001 1.042 -0.004 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.009 -0.017 -0.001 -0.002 -0.007 -0.004 -0.004 1.022 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.009 -0.002 -0.007 -0.017 -0.001 -0.004 -0.004 0.000 1.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.521 -0.006 0.029 -0.006 0.029 0.037 0.037 -0.029 -0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.006 0.521 -0.001 0.085 -0.029 -0.018 -0.018 0.029 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.029 -0.001 0.913 -0.029 0.001 0.003 0.003 0.000 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.006 0.085 -0.029 0.521 -0.001 -0.018 -0.018 0.004 0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.029 -0.029 0.001 -0.001 0.913 0.003 0.003 0.012 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.037 -0.018 0.003 -0.018 0.003 0.819 0.004 0.015 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.037 -0.018 0.003 -0.018 0.003 0.004 0.819 0.015 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.029 0.029 0.000 0.004 0.012 0.015 0.015 0.913 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.029 0.004 0.012 0.029 0.000 0.015 0.015 -0.001 0.913
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.887 0.000 0.014 0.000 0.014 0.015 0.015 -0.008 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.000 0.887 -0.001 0.023 -0.008 -0.006 -0.006 0.014 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.014 -0.001 0.979 -0.008 -0.003 -0.003 -0.003 0.000 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.000 0.023 -0.008 0.887 -0.001 -0.006 -0.006 0.002 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.014 -0.008 -0.003 -0.001 0.979 -0.003 -0.003 0.007 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.015 -0.006 -0.003 -0.006 -0.003 0.960 0.000 0.003 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.015 -0.006 -0.003 -0.006 -0.003 0.000 0.960 0.003 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.008 0.014 0.000 0.002 0.007 0.003 0.003 0.979 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.008 0.002 0.007 0.014 0.000 0.003 0.003 0.000 0.979
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1090
-P-0000 -cpu time = 3829.32 seconds
-P-0000 -real time = 3919.91 seconds
-P-0000
q-point number 11 q = ( 0.166667, 0.166667, 0.166667) [r.l.u.]
-P-0000 timing point number 1100
-P-0000 -cpu time = 3829.32 seconds
-P-0000 -real time = 3919.91 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.16667 0.16667 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 9 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 17 preserves q
symq3 : found symmetry 21 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 182073 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 11, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -8.842 -1.800 3.220 3.217 -1.804 -1.807 3.215 0.892 -0.357
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -1.800 -14.288 0.881 -1.649 -0.921 -0.915 -1.641 2.707 0.636
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.220 0.881 -9.842 -0.652 -1.653 -1.647 -0.645 -0.588 1.472
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 3.217 -1.649 -0.652 -9.827 0.901 -1.639 -0.638 -0.590 1.475
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -1.804 -0.921 -1.653 0.901 -14.277 -0.908 -1.635 2.706 0.636
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -1.807 -0.915 -1.647 -1.639 -0.908 -14.266 0.921 1.024 0.808
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 3.215 -1.641 -0.645 -0.638 -1.635 0.921 -9.812 2.054 0.634
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.892 2.707 -0.588 -0.590 2.706 1.024 2.054 -8.765 1.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.357 0.636 1.472 1.475 0.636 0.808 0.634 1.016 -5.854
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 11, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -0.683 -0.168 0.356 0.356 -0.168 -0.169 0.356 0.090 -0.060
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.168 -1.867 0.015 -0.284 -0.214 -0.213 -0.283 0.464 0.052
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.356 0.015 -1.688 -0.239 -0.285 -0.284 -0.238 -0.016 0.461
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.356 -0.284 -0.239 -1.686 0.019 -0.282 -0.237 -0.017 0.462
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.168 -0.214 -0.285 0.019 -1.866 -0.212 -0.282 0.465 0.051
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.169 -0.213 -0.284 -0.282 -0.212 -1.864 0.023 0.142 0.107
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.356 -0.283 -0.238 -0.237 -0.282 0.023 -1.684 0.228 0.120
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.090 0.464 -0.016 -0.017 0.465 0.142 0.228 -1.527 0.097
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.060 0.052 0.461 0.462 0.051 0.107 0.120 0.097 -1.262
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1110
-P-0000 -cpu time = 4032.26 seconds
-P-0000 -real time = 4124.71 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 5.320 0.293 -0.382 -0.381 0.294 0.294 -0.381 -0.106 0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.293 1.776 -0.035 0.065 0.050 0.050 0.065 -0.107 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.382 -0.035 1.283 0.019 0.065 0.065 0.019 0.017 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.381 0.065 0.019 1.282 -0.036 0.065 0.018 0.017 -0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.294 0.050 0.065 -0.036 1.775 0.049 0.065 -0.107 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.294 0.050 0.065 0.065 0.049 1.775 -0.036 -0.040 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.381 0.065 0.019 0.018 0.065 -0.036 1.282 -0.059 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.106 -0.107 0.017 0.017 -0.107 -0.040 -0.059 1.252 -0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.030 -0.018 -0.030 -0.030 -0.018 -0.023 -0.013 -0.021 1.087
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.334 0.027 -0.042 -0.042 0.027 0.027 -0.042 -0.011 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.027 1.101 -0.001 0.011 0.012 0.012 0.011 -0.018 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.042 -0.001 1.049 0.007 0.011 0.011 0.007 0.000 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.042 0.011 0.007 1.048 -0.001 0.011 0.007 0.000 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.027 0.012 0.011 -0.001 1.101 0.011 0.011 -0.018 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.027 0.012 0.011 0.011 0.011 1.101 -0.001 -0.006 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.042 0.011 0.007 0.007 0.011 -0.001 1.048 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.011 -0.018 0.000 0.000 -0.018 -0.006 -0.007 1.044 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.005 -0.001 -0.010 -0.010 -0.001 -0.003 -0.002 -0.002 1.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.213 -0.037 0.061 0.061 -0.037 -0.037 0.061 0.013 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.037 0.586 0.008 -0.035 -0.004 -0.004 -0.035 0.045 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.061 0.008 0.809 0.009 -0.035 -0.035 0.009 -0.009 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.061 -0.035 0.009 0.809 0.008 -0.035 0.010 -0.009 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.037 -0.004 -0.035 0.008 0.586 -0.004 -0.035 0.045 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.037 -0.004 -0.035 -0.035 -0.004 0.586 0.009 0.015 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.061 -0.035 0.009 0.010 -0.035 0.009 0.810 0.037 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.013 0.045 -0.009 -0.009 0.045 0.015 0.037 0.814 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.005 0.009 0.019 0.019 0.009 0.012 0.008 0.016 0.925
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.755 -0.019 0.030 0.030 -0.019 -0.019 0.030 0.007 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.019 0.910 0.000 -0.010 -0.008 -0.008 -0.010 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.030 0.000 0.956 -0.005 -0.010 -0.010 -0.005 0.000 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.030 -0.010 -0.005 0.956 0.000 -0.010 -0.005 0.000 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.019 -0.008 -0.010 0.000 0.910 -0.008 -0.010 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.019 -0.008 -0.010 -0.010 -0.008 0.910 0.000 0.004 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.030 -0.010 -0.005 -0.005 -0.010 0.000 0.956 0.006 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.007 0.015 0.000 0.000 0.015 0.004 0.006 0.959 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.003 0.001 0.009 0.009 0.001 0.003 0.002 0.002 0.982
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1190
-P-0000 -cpu time = 4038.15 seconds
-P-0000 -real time = 4148.68 seconds
-P-0000
q-point number 12 q = ( 0.333333, 0.166667, 0.166667) [r.l.u.]
-P-0000 timing point number 1200
-P-0000 -cpu time = 4038.15 seconds
-P-0000 -real time = 4148.68 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.16667 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 12, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -12.090 -3.853 3.500 2.943 -0.095 -0.098 2.940 1.099 -0.103
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -3.853 -14.854 0.456 -2.036 -0.103 -0.098 -2.029 2.224 0.375
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 3.500 0.456 -7.773 -0.181 -1.191 -1.186 -0.175 0.035 1.555
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.943 -2.036 -0.181 -9.392 0.487 -1.183 -0.400 -1.470 1.290
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.095 -0.103 -1.191 0.487 -13.079 -0.783 -1.180 3.411 0.836
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.098 -0.098 -1.186 -1.183 -0.783 -13.072 0.503 0.790 0.309
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.940 -2.029 -0.175 -0.400 -1.180 0.503 -9.383 2.274 0.295
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 1.099 2.224 0.035 -1.470 3.411 0.790 2.274 -9.704 0.808
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.103 0.375 1.555 1.290 0.836 0.309 0.295 0.808 -5.093
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 12, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.117 -0.382 0.492 0.388 0.014 0.013 0.388 0.114 -0.067
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.382 -1.794 -0.006 -0.277 -0.087 -0.086 -0.275 0.367 0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.492 -0.006 -1.528 -0.209 -0.245 -0.244 -0.208 0.031 0.459
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.388 -0.277 -0.209 -1.651 -0.005 -0.253 -0.216 -0.070 0.447
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.014 -0.087 -0.245 -0.005 -1.787 -0.187 -0.253 0.482 0.052
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.013 -0.086 -0.244 -0.253 -0.187 -1.786 -0.002 0.113 0.061
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.388 -0.275 -0.208 -0.216 -0.253 -0.002 -1.650 0.243 0.084
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.114 0.367 0.031 -0.070 0.482 0.113 0.243 -1.586 0.087
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.067 0.022 0.459 0.447 0.052 0.061 0.084 0.087 -1.145
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1210
-P-0000 -cpu time = 4208.10 seconds
-P-0000 -real time = 4320.35 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 3.954 0.543 -0.258 -0.240 0.010 0.011 -0.239 -0.101 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.543 2.210 -0.019 0.096 0.006 0.006 0.095 -0.119 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.258 -0.019 1.173 0.004 0.039 0.039 0.004 -0.001 -0.026
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.240 0.096 0.004 1.255 -0.018 0.043 0.011 0.045 -0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.010 0.006 0.039 -0.018 1.639 0.038 0.043 -0.141 -0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.011 0.006 0.039 0.043 0.038 1.639 -0.018 -0.033 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.239 0.095 0.004 0.011 0.043 -0.018 1.255 -0.070 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.101 -0.119 -0.001 0.045 -0.141 -0.033 -0.070 1.339 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.006 -0.012 -0.026 -0.024 -0.021 -0.008 -0.006 -0.017 1.065
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.273 0.054 -0.036 -0.032 -0.002 -0.001 -0.032 -0.011 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.054 1.146 0.000 0.013 0.005 0.005 0.013 -0.020 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.036 0.000 1.034 0.005 0.008 0.008 0.005 -0.001 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.032 0.013 0.005 1.045 0.000 0.009 0.006 0.002 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.002 0.005 0.008 0.000 1.087 0.009 0.009 -0.020 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.001 0.005 0.008 0.009 0.009 1.087 0.000 -0.005 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.032 0.013 0.005 0.006 0.009 0.000 1.045 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.011 -0.020 -0.001 0.002 -0.020 -0.005 -0.007 1.055 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.004 -0.001 -0.008 -0.008 -0.001 -0.002 -0.002 -0.002 1.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.281 -0.075 0.058 0.055 -0.004 -0.004 0.055 0.017 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.075 0.488 -0.006 -0.045 0.006 0.006 -0.045 0.036 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.058 -0.006 0.872 0.011 -0.018 -0.017 0.011 0.002 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.055 -0.045 0.011 0.821 0.008 -0.017 0.007 -0.027 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.004 0.006 -0.018 0.008 0.627 -0.011 -0.017 0.063 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.004 0.006 -0.017 -0.017 -0.011 0.627 0.008 0.013 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.055 -0.045 0.011 0.007 -0.017 0.008 0.821 0.041 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.017 0.036 0.002 -0.027 0.063 0.013 0.041 0.766 0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.001 0.005 0.020 0.017 0.012 0.004 0.004 0.013 0.942
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.790 -0.038 0.027 0.024 0.001 0.001 0.024 0.008 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.038 0.876 -0.001 -0.011 -0.004 -0.004 -0.011 0.015 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.027 -0.001 0.969 -0.004 -0.007 -0.007 -0.004 0.001 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.024 -0.011 -0.004 0.959 0.000 -0.008 -0.004 -0.002 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.001 -0.004 -0.007 0.000 0.921 -0.007 -0.008 0.017 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.001 -0.004 -0.007 -0.008 -0.007 0.921 0.000 0.004 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.024 -0.011 -0.004 -0.004 -0.008 0.000 0.959 0.007 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.008 0.015 0.001 -0.002 0.017 0.004 0.007 0.949 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.003 0.001 0.007 0.008 0.001 0.001 0.001 0.002 0.986
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1290
-P-0000 -cpu time = 4213.80 seconds
-P-0000 -real time = 4330.11 seconds
-P-0000
q-point number 13 q = (-0.500000, 0.166667, 0.166667) [r.l.u.]
-P-0000 timing point number 1300
-P-0000 -cpu time = 4213.80 seconds
-P-0000 -real time = 4330.11 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.16667 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 16 preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 13, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -14.123 3.029 -4.505 2.369 1.269 1.266 2.365 -1.110 -2.183
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 3.029 -6.233 0.060 -0.103 -0.783 -0.779 -0.099 1.356 0.594
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -4.505 0.060 -14.124 -2.183 0.639 0.643 -2.178 -0.080 2.369
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.369 -0.103 -2.183 -8.719 0.128 -0.609 -0.050 0.692 2.509
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.269 -0.783 0.639 0.128 -11.268 -0.337 -0.607 1.119 -1.905
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.266 -0.779 0.643 -0.609 -0.337 -11.264 0.141 0.976 2.305
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.365 -0.099 -2.178 -0.050 -0.607 0.141 -8.713 0.468 1.590
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.110 1.356 -0.080 0.692 1.119 0.976 0.468 -5.810 -0.188
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -2.183 0.594 2.369 2.509 -1.905 2.305 1.590 -0.188 -8.719
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 13, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.536 0.527 -0.459 0.413 0.207 0.207 0.413 -0.182 -0.240
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.527 -1.372 -0.028 -0.200 -0.212 -0.211 -0.199 0.452 0.079
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.459 -0.028 -1.536 -0.240 0.042 0.043 -0.240 0.028 0.413
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.413 -0.200 -0.240 -1.593 -0.011 -0.202 -0.186 0.061 0.540
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.207 -0.212 0.042 -0.011 -1.678 -0.144 -0.202 0.424 -0.090
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.207 -0.211 0.043 -0.202 -0.144 -1.677 -0.008 0.136 0.247
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.413 -0.199 -0.240 -0.186 -0.202 -0.008 -1.593 0.118 0.221
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.182 0.452 0.028 0.061 0.424 0.136 0.118 -1.214 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.240 0.079 0.413 0.540 -0.090 0.247 0.221 -0.014 -1.593
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1310
-P-0000 -cpu time = 4373.22 seconds
-P-0000 -real time = 4491.23 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.882 -0.147 0.600 -0.136 -0.095 -0.095 -0.136 0.047 0.126
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.147 1.110 -0.003 0.002 0.021 0.021 0.002 -0.021 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.600 -0.003 2.882 0.126 -0.048 -0.048 0.125 0.003 -0.136
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.136 0.002 0.126 1.217 -0.004 0.020 0.001 -0.013 -0.062
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.095 0.021 -0.048 -0.004 1.472 0.014 0.020 -0.027 0.061
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.095 0.021 -0.048 0.020 0.014 1.472 -0.005 -0.023 -0.074
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.136 0.002 0.125 0.001 0.020 -0.005 1.216 -0.009 -0.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.047 -0.021 0.003 -0.013 -0.027 -0.023 -0.009 1.080 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.126 -0.012 -0.136 -0.062 0.061 -0.074 -0.040 0.003 1.217
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.205 -0.026 0.061 -0.024 -0.015 -0.015 -0.024 0.008 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.026 1.024 0.001 0.004 0.006 0.006 0.004 -0.007 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.061 0.001 1.205 0.014 -0.003 -0.003 0.014 -0.001 -0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.024 0.004 0.014 1.040 0.000 0.007 0.005 -0.001 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.015 0.006 -0.003 0.000 1.070 0.006 0.007 -0.010 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.015 0.006 -0.003 0.007 0.006 1.070 0.000 -0.003 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.024 0.004 0.014 0.005 0.007 0.000 1.040 -0.002 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.008 -0.007 -0.001 -0.001 -0.010 -0.003 -0.002 1.017 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.014 -0.002 -0.024 -0.013 0.003 -0.008 -0.005 0.000 1.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.383 0.047 -0.088 0.047 0.020 0.020 0.047 -0.014 -0.043
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.047 0.911 -0.009 0.006 -0.007 -0.007 0.006 0.015 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.088 -0.009 0.383 -0.043 0.013 0.013 -0.043 0.002 0.047
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.047 0.006 -0.043 0.842 0.001 -0.004 0.007 0.007 0.033
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.020 -0.007 0.013 0.001 0.698 -0.003 -0.004 0.017 -0.037
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.020 -0.007 0.013 -0.004 -0.003 0.698 0.002 0.013 0.040
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.047 0.006 -0.043 0.007 -0.004 0.002 0.842 0.006 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.014 0.015 0.002 0.007 0.017 0.013 0.006 0.930 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.043 0.004 0.047 0.033 -0.037 0.040 0.019 0.000 0.842
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.835 0.020 -0.043 0.019 0.011 0.011 0.019 -0.006 -0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.020 0.977 -0.002 -0.003 -0.005 -0.005 -0.003 0.006 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.043 -0.002 0.834 -0.011 0.003 0.003 -0.011 0.001 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.019 -0.003 -0.011 0.963 0.000 -0.005 -0.003 0.001 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.011 -0.005 0.003 0.000 0.936 -0.005 -0.005 0.009 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.011 -0.005 0.003 -0.005 -0.005 0.936 0.000 0.003 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.019 -0.003 -0.011 -0.003 -0.005 0.000 0.963 0.002 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.006 0.006 0.001 0.001 0.009 0.003 0.002 0.984 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.011 0.001 0.019 0.012 -0.003 0.007 0.004 0.000 0.963
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1390
-P-0000 -cpu time = 4379.40 seconds
-P-0000 -real time = 4499.36 seconds
-P-0000
q-point number 14 q = ( 0.333333, 0.333333, 0.166667) [r.l.u.]
-P-0000 timing point number 1400
-P-0000 -cpu time = 4379.40 seconds
-P-0000 -real time = 4499.36 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.33333 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 14, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.487 -1.354 2.894 2.893 -1.358 0.747 2.833 2.055 0.224
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -1.354 -13.831 0.185 -1.784 1.195 -0.280 -1.638 2.621 0.478
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 2.894 0.185 -7.718 0.070 -1.790 -0.846 -0.030 -0.572 1.500
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.893 -1.784 0.070 -7.711 0.198 -0.841 -0.025 -0.572 1.501
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -1.358 1.195 -1.790 0.198 -13.829 -0.277 -1.635 2.621 0.477
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.747 -0.280 -0.846 -0.841 -0.277 -12.105 0.173 0.025 -0.182
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.833 -1.638 -0.030 -0.025 -1.635 0.173 -8.998 2.558 0.063
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 2.055 2.621 -0.572 -0.572 2.621 0.025 2.558 -10.581 0.863
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.224 0.478 1.500 1.501 0.477 -0.182 0.063 0.863 -4.281
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 14, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.362 -0.149 0.475 0.475 -0.150 0.133 0.405 0.215 -0.060
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.149 -1.746 -0.026 -0.261 0.078 -0.111 -0.248 0.337 0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.475 -0.026 -1.512 -0.203 -0.262 -0.229 -0.197 -0.005 0.444
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.475 -0.261 -0.203 -1.511 -0.022 -0.228 -0.196 -0.005 0.445
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.150 0.078 -0.262 -0.022 -1.746 -0.110 -0.247 0.338 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.133 -0.111 -0.229 -0.228 -0.110 -1.732 -0.024 0.049 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.405 -0.248 -0.197 -0.196 -0.247 -0.024 -1.610 0.247 0.053
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.215 0.337 -0.005 -0.005 0.338 0.049 0.247 -1.617 0.105
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.060 0.013 0.444 0.445 0.012 0.016 0.053 0.105 -1.027
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1410
-P-0000 -cpu time = 4543.75 seconds
-P-0000 -real time = 4665.26 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 3.197 0.144 -0.170 -0.170 0.145 -0.064 -0.183 -0.175 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.144 1.965 -0.007 0.069 -0.083 0.016 0.069 -0.146 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.170 -0.007 1.164 -0.001 0.069 0.026 0.001 0.018 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.170 0.069 -0.001 1.164 -0.008 0.026 0.001 0.018 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.145 -0.083 0.069 -0.008 1.965 0.015 0.069 -0.146 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.064 0.016 0.026 0.026 0.015 1.538 -0.006 -0.001 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.183 0.069 0.001 0.001 0.069 -0.006 1.231 -0.086 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.175 -0.146 0.018 0.018 -0.146 -0.001 -0.086 1.470 -0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.010 -0.013 -0.023 -0.023 -0.013 0.004 -0.001 -0.019 1.049
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.222 0.016 -0.028 -0.028 0.016 -0.011 -0.026 -0.018 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.016 1.122 0.001 0.010 -0.005 0.006 0.011 -0.019 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.028 0.001 1.032 0.004 0.010 0.007 0.005 0.000 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.028 0.010 0.004 1.032 0.001 0.007 0.005 0.000 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.016 -0.005 0.010 0.001 1.122 0.006 0.010 -0.019 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.011 0.006 0.007 0.007 0.006 1.077 0.001 -0.002 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.026 0.011 0.005 0.005 0.010 0.001 1.041 -0.008 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.018 -0.019 0.000 0.000 -0.019 -0.002 -0.008 1.072 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.003 0.000 -0.007 -0.007 0.000 0.000 -0.001 -0.002 1.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.333 -0.029 0.047 0.047 -0.029 0.011 0.052 0.038 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.029 0.529 -0.002 -0.031 0.033 -0.002 -0.029 0.048 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.047 -0.002 0.874 0.010 -0.031 -0.008 0.009 -0.008 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.047 -0.031 0.010 0.874 -0.002 -0.008 0.009 -0.008 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.029 0.033 -0.031 -0.002 0.529 -0.002 -0.029 0.048 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.011 -0.002 -0.008 -0.008 -0.002 0.666 0.004 -0.001 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.052 -0.029 0.009 0.009 -0.029 0.004 0.832 0.049 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.038 0.048 -0.008 -0.008 0.048 -0.001 0.049 0.702 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.004 0.007 0.019 0.019 0.007 -0.003 0.002 0.014 0.956
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.821 -0.012 0.022 0.022 -0.012 0.008 0.020 0.014 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.012 0.893 -0.001 -0.009 0.005 -0.005 -0.009 0.015 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.022 -0.001 0.970 -0.003 -0.009 -0.006 -0.003 0.000 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.022 -0.009 -0.003 0.970 -0.001 -0.006 -0.003 0.000 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.012 0.005 -0.009 -0.001 0.893 -0.005 -0.009 0.015 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.008 -0.005 -0.006 -0.006 -0.005 0.930 0.000 0.002 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.020 -0.009 -0.003 -0.003 -0.009 0.000 0.962 0.007 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.014 0.015 0.000 0.000 0.015 0.002 0.007 0.934 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.002 0.000 0.006 0.006 0.000 0.000 0.001 0.002 0.989
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1490
-P-0000 -cpu time = 4549.69 seconds
-P-0000 -real time = 4673.05 seconds
-P-0000
q-point number 15 q = (-0.500000, 0.333333, 0.166667) [r.l.u.]
-P-0000 timing point number 1500
-P-0000 -cpu time = 4549.69 seconds
-P-0000 -real time = 4673.05 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.33333 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 15, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.951 2.496 -1.720 2.059 0.934 1.585 2.231 -1.610 -2.167
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 2.496 -6.353 0.040 -0.023 -1.320 -0.611 -0.004 1.249 0.336
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -1.720 0.040 -13.952 -2.167 2.018 -0.030 -1.817 0.010 2.059
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.059 -0.023 -2.167 -7.503 0.040 -0.381 0.157 0.431 1.693
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.934 -1.320 2.018 0.040 -12.070 -0.378 -0.907 1.261 -0.958
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.585 -0.611 -0.030 -0.381 -0.378 -10.780 -0.028 1.486 2.185
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.231 -0.004 -1.817 0.157 -0.907 -0.028 -8.315 0.613 1.047
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.610 1.249 0.010 0.431 1.261 1.486 0.613 -6.211 -0.284
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -2.167 0.336 2.059 1.693 -0.958 2.185 1.047 -0.284 -7.503
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 15, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.596 0.498 -0.209 0.452 0.111 0.270 0.413 -0.225 -0.261
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.498 -1.361 -0.035 -0.208 -0.231 -0.206 -0.195 0.450 0.059
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.209 -0.035 -1.596 -0.261 0.197 -0.055 -0.218 0.044 0.452
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.452 -0.208 -0.261 -1.476 -0.020 -0.197 -0.180 0.051 0.494
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.111 -0.231 0.197 -0.020 -1.675 -0.127 -0.192 0.434 -0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.270 -0.206 -0.055 -0.197 -0.127 -1.662 -0.024 0.181 0.246
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.413 -0.195 -0.218 -0.180 -0.192 -0.024 -1.548 0.138 0.182
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.225 0.450 0.044 0.051 0.434 0.181 0.138 -1.287 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.261 0.059 0.452 0.494 -0.022 0.246 0.182 -0.023 -1.477
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1510
-P-0000 -cpu time = 4710.78 seconds
-P-0000 -real time = 4835.78 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.461 -0.105 0.180 -0.094 -0.072 -0.101 -0.111 0.064 0.099
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.105 1.108 -0.002 0.000 0.041 0.016 0.000 -0.020 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.180 -0.002 2.461 0.099 -0.155 0.002 0.090 0.000 -0.094
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.094 0.000 0.099 1.149 -0.001 0.011 -0.003 -0.007 -0.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.072 0.041 -0.155 -0.001 1.681 0.018 0.033 -0.037 0.032
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.101 0.016 0.002 0.011 0.018 1.416 0.001 -0.036 -0.060
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.111 0.000 0.090 -0.003 0.033 0.001 1.197 -0.012 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.064 -0.020 0.000 -0.007 -0.037 -0.036 -0.012 1.093 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.099 -0.006 -0.094 -0.034 0.032 -0.060 -0.023 0.005 1.149
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.167 -0.021 0.022 -0.021 -0.009 -0.017 -0.021 0.009 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.021 1.023 0.001 0.004 0.007 0.005 0.004 -0.007 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.022 0.001 1.167 0.012 -0.015 0.004 0.011 -0.002 -0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.021 0.004 0.012 1.029 0.001 0.005 0.004 -0.001 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.009 0.007 -0.015 0.001 1.094 0.006 0.007 -0.013 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.017 0.005 0.004 0.005 0.006 1.064 0.001 -0.004 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.021 0.004 0.011 0.004 0.007 0.001 1.037 -0.003 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.009 -0.007 -0.002 -0.001 -0.013 -0.004 -0.003 1.019 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.012 -0.001 -0.021 -0.010 0.001 -0.007 -0.004 0.000 1.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.427 0.038 -0.036 0.034 0.014 0.027 0.042 -0.021 -0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.038 0.910 -0.003 0.005 -0.018 -0.004 0.006 0.014 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.036 -0.003 0.427 -0.035 0.044 0.001 -0.032 0.002 0.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.034 0.005 -0.035 0.883 -0.002 0.001 0.008 0.003 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.014 -0.018 0.044 -0.002 0.615 -0.005 -0.011 0.019 -0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.027 -0.004 0.001 0.001 -0.005 0.723 0.001 0.020 0.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.042 0.006 -0.032 0.008 -0.011 0.001 0.852 0.007 0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.021 0.014 0.002 0.003 0.019 0.020 0.007 0.920 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.035 0.001 0.034 0.020 -0.016 0.034 0.011 -0.001 0.883
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.859 0.017 -0.017 0.017 0.006 0.013 0.017 -0.007 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.017 0.978 -0.001 -0.003 -0.006 -0.004 -0.003 0.007 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.017 -0.001 0.859 -0.010 0.012 -0.003 -0.009 0.002 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.017 -0.003 -0.010 0.972 0.000 -0.004 -0.003 0.001 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.006 -0.006 0.012 0.000 0.915 -0.005 -0.006 0.011 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.013 -0.004 -0.003 -0.004 -0.005 0.941 0.000 0.004 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.017 -0.003 -0.009 -0.003 -0.006 0.000 0.966 0.002 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.007 0.007 0.002 0.001 0.011 0.004 0.002 0.982 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.010 0.001 0.017 0.009 -0.001 0.006 0.003 0.000 0.972
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1590
-P-0000 -cpu time = 4716.61 seconds
-P-0000 -real time = 4855.25 seconds
-P-0000
q-point number 16 q = ( 0.500000,-0.500000, 0.166667) [r.l.u.]
-P-0000 timing point number 1600
-P-0000 -cpu time = 4716.61 seconds
-P-0000 -real time = 4855.25 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.50000-0.50000 0.16667
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 6 preserves q
symq3 : found symmetry 7 + TimeReversal preserves q
symq3 : found symmetry 8 preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 16, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.002 0.936 1.784 0.934 1.785 1.736 1.765 -1.697 -1.703
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.936 -13.003 0.184 2.512 -1.697 -0.683 -1.014 1.785 0.174
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 1.784 0.184 -6.379 -1.703 -0.174 -0.267 0.045 0.074 1.225
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.934 2.512 -1.703 -13.003 0.196 -0.682 -1.013 0.174 1.784
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.785 -1.697 -0.174 0.196 -6.374 -0.263 0.049 1.227 0.070
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.736 -0.683 -0.267 -0.682 -0.263 -9.930 -0.003 1.750 1.751
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.765 -1.014 0.045 -1.013 0.049 -0.003 -7.732 0.661 0.662
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.697 1.785 0.074 0.174 1.227 1.750 0.661 -6.375 -0.256
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -1.703 0.174 1.225 1.784 0.070 1.751 0.662 -0.256 -6.380
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 16, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.642 0.076 0.462 0.075 0.463 0.343 0.407 -0.240 -0.241
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.076 -1.643 -0.019 0.257 -0.240 -0.136 -0.173 0.463 0.057
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.462 -0.019 -1.334 -0.241 -0.220 -0.190 -0.190 0.032 0.451
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.075 0.257 -0.241 -1.643 -0.016 -0.135 -0.173 0.057 0.463
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.463 -0.240 -0.220 -0.016 -1.333 -0.189 -0.189 0.452 0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.343 -0.136 -0.190 -0.135 -0.189 -1.630 -0.015 0.209 0.209
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.407 -0.173 -0.190 -0.173 -0.189 -0.015 -1.491 0.147 0.147
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.240 0.463 0.032 0.057 0.452 0.209 0.147 -1.334 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.241 0.057 0.451 0.463 0.030 0.209 0.147 -0.008 -1.334
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1610
-P-0000 -cpu time = 4877.86 seconds
-P-0000 -real time = 5018.20 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.003 -0.072 -0.063 -0.072 -0.063 -0.089 -0.072 0.060 0.060
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.072 2.003 -0.006 -0.194 0.060 0.035 0.042 -0.063 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.063 -0.006 1.103 0.060 0.003 0.006 -0.001 -0.001 -0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.072 -0.194 0.060 2.003 -0.007 0.035 0.042 -0.006 -0.063
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.063 0.060 0.003 -0.007 1.103 0.006 -0.001 -0.020 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.089 0.035 0.006 0.035 0.006 1.339 0.000 -0.041 -0.041
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.072 0.042 -0.001 0.042 -0.001 0.000 1.169 -0.012 -0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.060 -0.063 -0.001 -0.006 -0.020 -0.041 -0.012 1.103 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.060 -0.006 -0.020 -0.063 -0.001 -0.041 -0.012 0.004 1.103
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.127 -0.006 -0.016 -0.006 -0.016 -0.018 -0.017 0.008 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.006 1.127 0.001 -0.020 0.008 0.007 0.007 -0.016 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.016 0.001 1.021 0.009 0.004 0.004 0.004 -0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.006 -0.020 0.009 1.127 0.001 0.007 0.007 -0.002 -0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.016 0.008 0.004 0.001 1.021 0.004 0.004 -0.007 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.018 0.007 0.004 0.007 0.004 1.056 0.000 -0.005 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.017 0.007 0.004 0.007 0.004 0.000 1.033 -0.003 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.008 -0.016 -0.001 -0.002 -0.007 -0.005 -0.003 1.021 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.009 -0.002 -0.007 -0.016 0.000 -0.005 -0.003 0.000 1.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.518 0.016 0.027 0.016 0.027 0.030 0.033 -0.024 -0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.016 0.518 0.002 0.055 -0.024 -0.010 -0.015 0.027 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.027 0.002 0.913 -0.024 0.001 0.001 0.004 -0.001 0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.016 0.055 -0.024 0.518 0.002 -0.010 -0.015 0.004 0.027
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.027 -0.024 0.001 0.002 0.914 0.001 0.004 0.013 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.030 -0.010 0.001 -0.010 0.001 0.762 0.001 0.024 0.024
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.033 -0.015 0.004 -0.015 0.004 0.001 0.867 0.007 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.024 0.027 -0.001 0.004 0.013 0.024 0.007 0.914 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.024 0.004 0.013 0.027 -0.001 0.024 0.007 -0.001 0.913
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.889 0.004 0.014 0.004 0.014 0.014 0.014 -0.007 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.004 0.889 0.000 0.016 -0.007 -0.005 -0.006 0.014 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.014 0.000 0.980 -0.007 -0.003 -0.004 -0.003 0.000 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.004 0.016 -0.007 0.889 0.000 -0.005 -0.006 0.002 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.014 -0.007 -0.003 0.000 0.980 -0.004 -0.003 0.007 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.014 -0.005 -0.004 -0.005 -0.004 0.949 0.000 0.004 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.014 -0.006 -0.003 -0.006 -0.003 0.000 0.969 0.002 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.007 0.014 0.000 0.002 0.007 0.004 0.002 0.980 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.007 0.002 0.007 0.014 0.000 0.004 0.002 0.000 0.980
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1690
-P-0000 -cpu time = 4883.66 seconds
-P-0000 -real time = 5026.30 seconds
-P-0000
q-point number 17 q = ( 0.333333, 0.333333, 0.333333) [r.l.u.]
-P-0000 timing point number 1700
-P-0000 -cpu time = 4883.66 seconds
-P-0000 -real time = 5026.30 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.33333 0.33333 0.33333
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 9 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 17 preserves q
symq3 : found symmetry 21 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 182073 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 17, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -14.595 0.361 2.540 2.538 0.358 0.355 2.536 0.334 -0.153
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.361 -13.104 0.038 -1.333 0.348 0.351 -1.328 2.584 0.343
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 2.540 0.038 -7.515 0.190 -1.337 -1.335 0.194 -0.114 1.527
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 2.538 -1.333 0.190 -7.508 0.051 -1.329 0.199 -0.115 1.529
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.358 0.348 -1.337 0.051 -13.101 0.355 -1.325 2.584 0.342
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.355 0.351 -1.335 -1.329 0.355 -13.098 0.065 -1.258 -0.254
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.536 -1.328 0.194 0.199 -1.325 0.065 -7.502 2.559 0.067
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.334 2.584 -0.114 -0.115 2.584 -1.258 2.559 -10.672 0.508
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.153 0.343 1.527 1.529 0.342 -0.254 0.067 0.508 -4.320
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 17, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.536 0.033 0.467 0.466 0.032 0.031 0.466 0.022 -0.108
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.033 -1.741 -0.033 -0.237 -0.022 -0.021 -0.236 0.378 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.467 -0.033 -1.484 -0.191 -0.238 -0.237 -0.190 0.033 0.444
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.466 -0.237 -0.191 -1.483 -0.030 -0.236 -0.189 0.033 0.444
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.032 -0.022 -0.238 -0.030 -1.740 -0.020 -0.235 0.379 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.031 -0.021 -0.237 -0.236 -0.020 -1.740 -0.027 -0.040 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.466 -0.236 -0.190 -0.189 -0.235 -0.027 -1.483 0.264 0.066
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.022 0.378 0.033 0.033 0.379 -0.040 0.264 -1.653 0.065
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.108 0.009 0.444 0.444 0.008 0.001 0.066 0.065 -1.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1710
-P-0000 -cpu time = 5063.12 seconds
-P-0000 -real time = 5207.56 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.783 -0.031 -0.127 -0.127 -0.031 -0.031 -0.126 -0.024 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.031 1.800 -0.001 0.047 -0.021 -0.021 0.047 -0.129 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.127 -0.001 1.153 -0.004 0.047 0.047 -0.004 0.003 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.127 0.047 -0.004 1.153 -0.002 0.047 -0.004 0.003 -0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.031 -0.021 0.047 -0.002 1.800 -0.022 0.047 -0.129 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.031 -0.021 0.047 0.047 -0.022 1.800 -0.002 0.063 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.126 0.047 -0.004 -0.004 0.047 -0.002 1.153 -0.074 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.024 -0.129 0.003 0.003 -0.129 0.063 -0.074 1.435 -0.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.006 -0.009 -0.023 -0.023 -0.009 0.007 -0.001 -0.011 1.048
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.188 -0.003 -0.023 -0.023 -0.003 -0.003 -0.023 -0.002 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.003 1.106 0.001 0.008 0.001 0.001 0.008 -0.019 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.023 0.001 1.030 0.004 0.008 0.008 0.004 -0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.023 0.008 0.004 1.030 0.001 0.008 0.004 -0.001 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.003 0.001 0.008 0.001 1.106 0.001 0.008 -0.019 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.003 0.001 0.008 0.008 0.001 1.106 0.001 0.002 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.023 0.008 0.004 0.004 0.008 0.001 1.030 -0.008 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.002 -0.019 -0.001 -0.001 -0.019 0.002 -0.008 1.067 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.004 0.000 -0.007 -0.007 0.000 0.000 -0.001 -0.001 1.011
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.373 0.004 0.040 0.040 0.004 0.004 0.040 0.009 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.004 0.573 -0.001 -0.018 0.010 0.010 -0.018 0.049 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.040 -0.001 0.880 0.009 -0.018 -0.018 0.009 -0.003 0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.040 -0.018 0.009 0.880 -0.001 -0.018 0.009 -0.003 0.019
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.004 0.010 -0.018 -0.001 0.573 0.010 -0.018 0.049 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.004 0.010 -0.018 -0.018 0.010 0.573 -0.001 -0.027 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.040 -0.018 0.009 0.009 -0.018 -0.001 0.880 0.042 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.009 0.049 -0.003 -0.003 0.049 -0.027 0.042 0.716 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.001 0.005 0.018 0.019 0.005 -0.004 0.001 0.008 0.957
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.844 0.002 0.019 0.019 0.002 0.001 0.019 0.002 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.002 0.905 -0.001 -0.007 0.000 0.000 -0.007 0.016 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.019 -0.001 0.972 -0.003 -0.007 -0.007 -0.003 0.001 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.019 -0.007 -0.003 0.972 -0.001 -0.007 -0.003 0.001 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.002 0.000 -0.007 -0.001 0.905 0.000 -0.007 0.016 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.001 0.000 -0.007 -0.007 0.000 0.905 -0.001 -0.002 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.019 -0.007 -0.003 -0.003 -0.007 -0.001 0.972 0.007 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.002 0.016 0.001 0.001 0.016 -0.002 0.007 0.938 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.003 0.000 0.006 0.006 0.000 0.000 0.001 0.001 0.989
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1790
-P-0000 -cpu time = 5069.07 seconds
-P-0000 -real time = 5215.33 seconds
-P-0000
q-point number 18 q = (-0.500000, 0.333333, 0.333333) [r.l.u.]
-P-0000 timing point number 1800
-P-0000 -cpu time = 5069.07 seconds
-P-0000 -real time = 5215.33 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.50000 0.33333 0.33333
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 16 preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 18, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -14.164 2.030 0.443 1.827 1.694 1.692 1.825 -1.018 -1.580
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 2.030 -6.343 0.198 0.050 -0.912 -0.910 0.054 1.378 0.152
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.443 0.198 -14.165 -1.580 0.494 0.497 -1.576 0.208 1.828
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 1.827 0.050 -1.580 -7.245 0.110 -0.633 0.281 0.157 1.636
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.694 -0.912 0.494 0.110 -11.862 -0.412 -0.629 1.191 -0.333
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.692 -0.910 0.497 -0.633 -0.412 -11.860 0.121 1.786 2.643
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.825 0.054 -1.576 0.281 -0.629 0.121 -7.240 0.285 0.536
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.018 1.378 0.208 0.157 1.191 1.786 0.285 -6.118 -0.153
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -1.580 0.152 1.828 1.636 -0.333 2.643 0.536 -0.153 -7.245
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 18, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.678 0.475 -0.001 0.441 0.222 0.221 0.440 -0.184 -0.224
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.475 -1.340 -0.025 -0.200 -0.210 -0.210 -0.200 0.449 0.039
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.001 -0.025 -1.678 -0.224 0.028 0.029 -0.224 0.046 0.441
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.441 -0.200 -0.224 -1.440 -0.014 -0.190 -0.177 0.024 0.483
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.222 -0.210 0.028 -0.014 -1.704 -0.105 -0.189 0.422 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.221 -0.210 0.029 -0.190 -0.105 -1.703 -0.012 0.180 0.256
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.440 -0.200 -0.224 -0.177 -0.189 -0.012 -1.440 0.112 0.143
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.184 0.449 0.046 0.024 0.422 0.180 0.112 -1.263 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.224 0.039 0.441 0.483 0.015 0.256 0.143 -0.004 -1.440
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1810
-P-0000 -cpu time = 5231.80 seconds
-P-0000 -real time = 5379.83 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 2.221 -0.076 -0.038 -0.074 -0.112 -0.112 -0.074 0.036 0.064
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.076 1.104 -0.007 -0.001 0.026 0.026 -0.001 -0.021 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.038 -0.007 2.221 0.064 -0.033 -0.033 0.064 -0.007 -0.074
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.074 -0.001 0.064 1.138 -0.003 0.020 -0.005 -0.003 -0.031
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.112 0.026 -0.033 -0.003 1.600 0.021 0.020 -0.032 0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.112 0.026 -0.033 0.020 0.021 1.599 -0.004 -0.048 -0.082
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.074 -0.001 0.064 -0.005 0.020 -0.004 1.138 -0.005 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.036 -0.021 -0.007 -0.003 -0.032 -0.048 -0.005 1.089 0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.064 -0.003 -0.074 -0.031 0.010 -0.082 -0.010 0.003 1.138
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.145 -0.018 0.000 -0.018 -0.015 -0.015 -0.018 0.006 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.018 1.022 0.001 0.004 0.006 0.006 0.004 -0.007 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.001 1.145 0.009 -0.002 -0.002 0.009 -0.002 -0.018
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.018 0.004 0.009 1.027 0.000 0.006 0.003 0.000 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.015 0.006 -0.002 0.000 1.086 0.005 0.006 -0.011 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.015 0.006 -0.002 0.006 0.005 1.086 0.000 -0.005 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.018 0.004 0.009 0.003 0.006 0.000 1.027 -0.002 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.006 -0.007 -0.002 0.000 -0.011 -0.005 -0.002 1.018 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.009 -0.001 -0.018 -0.009 0.000 -0.008 -0.003 0.000 1.027
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.466 0.030 0.007 0.029 0.031 0.031 0.029 -0.013 -0.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.030 0.912 0.002 0.004 -0.010 -0.010 0.004 0.016 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.007 0.002 0.466 -0.022 0.013 0.013 -0.022 0.003 0.029
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.029 0.004 -0.022 0.889 0.001 -0.004 0.007 0.000 0.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.031 -0.010 0.013 0.001 0.645 -0.007 -0.004 0.019 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.031 -0.010 0.013 -0.004 -0.007 0.645 0.001 0.025 0.043
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.029 0.004 -0.022 0.007 -0.004 0.001 0.889 0.003 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.013 0.016 0.003 0.000 0.019 0.025 0.003 0.924 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.022 0.000 0.029 0.020 -0.007 0.043 0.005 0.000 0.889
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.875 0.015 -0.001 0.015 0.011 0.011 0.015 -0.005 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.015 0.979 -0.001 -0.003 -0.005 -0.005 -0.003 0.006 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.001 -0.001 0.875 -0.007 0.002 0.002 -0.007 0.001 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.015 -0.003 -0.007 0.974 0.000 -0.005 -0.003 0.000 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.011 -0.005 0.002 0.000 0.922 -0.004 -0.005 0.010 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.011 -0.005 0.002 -0.005 -0.004 0.922 0.000 0.004 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.015 -0.003 -0.007 -0.003 -0.005 0.000 0.974 0.002 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.005 0.006 0.001 0.000 0.010 0.004 0.002 0.982 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.007 0.000 0.015 0.008 0.000 0.007 0.002 0.000 0.974
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1890
-P-0000 -cpu time = 5237.73 seconds
-P-0000 -real time = 5387.39 seconds
-P-0000
q-point number 19 q = ( 0.500000,-0.500000, 0.333333) [r.l.u.]
-P-0000 timing point number 1900
-P-0000 -cpu time = 5237.73 seconds
-P-0000 -real time = 5387.39 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.50000-0.50000 0.33333
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 6 preserves q
symq3 : found symmetry 7 + TimeReversal preserves q
symq3 : found symmetry 8 preserves q
findggp : not enough symmetries to reduce the number of pair
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 19, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -13.189 1.907 1.518 1.905 1.517 2.056 1.362 -1.084 -1.089
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 1.907 -13.189 0.463 0.561 -1.084 -0.755 -0.676 1.518 0.304
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 1.518 0.463 -6.298 -1.090 -0.167 -0.390 0.062 -0.111 1.339
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 1.905 0.561 -1.090 -13.190 0.474 -0.753 -0.675 0.303 1.518
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 1.517 -1.084 -0.167 0.474 -6.294 -0.386 0.066 1.341 -0.115
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 2.056 -0.755 -0.390 -0.753 -0.386 -11.043 0.334 2.086 2.088
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 1.362 -0.676 0.062 -0.675 0.066 0.334 -6.897 0.301 0.302
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.084 1.518 -0.111 0.303 1.341 2.086 0.301 -6.295 -0.130
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -1.089 0.304 1.339 1.518 -0.115 2.088 0.302 -0.130 -6.299
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 19, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.715 0.209 0.444 0.208 0.444 0.330 0.418 -0.204 -0.204
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.209 -1.715 0.004 0.058 -0.204 -0.118 -0.165 0.444 0.063
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.444 0.004 -1.310 -0.204 -0.214 -0.177 -0.194 0.010 0.448
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.208 0.058 -0.204 -1.715 0.007 -0.118 -0.164 0.062 0.445
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.444 -0.204 -0.214 0.007 -1.309 -0.176 -0.193 0.449 0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.330 -0.118 -0.177 -0.118 -0.176 -1.697 0.012 0.216 0.216
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.418 -0.165 -0.194 -0.164 -0.193 0.012 -1.393 0.116 0.115
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.204 0.444 0.010 0.062 0.449 0.216 0.116 -1.309 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.204 0.063 0.448 0.445 0.009 0.216 0.115 0.006 -1.310
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1910
-P-0000 -cpu time = 5399.84 seconds
-P-0000 -real time = 5551.49 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 1.879 -0.127 -0.049 -0.127 -0.049 -0.110 -0.047 0.035 0.035
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.127 1.879 -0.015 -0.037 0.035 0.040 0.023 -0.049 -0.010
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.049 -0.015 1.098 0.035 0.003 0.010 -0.001 0.002 -0.021
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.127 -0.037 0.035 1.879 -0.015 0.040 0.023 -0.010 -0.049
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.049 0.035 0.003 -0.015 1.098 0.010 -0.001 -0.021 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.110 0.040 0.010 0.040 0.010 1.476 -0.009 -0.054 -0.054
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.047 0.023 -0.001 0.023 -0.001 -0.009 1.123 -0.005 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.035 -0.049 0.002 -0.010 -0.021 -0.054 -0.005 1.098 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.035 -0.010 -0.021 -0.049 0.002 -0.054 -0.005 0.002 1.098
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.114 -0.014 -0.014 -0.014 -0.014 -0.018 -0.014 0.007 0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.014 1.114 0.000 -0.004 0.007 0.006 0.006 -0.014 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.014 0.000 1.020 0.007 0.003 0.005 0.003 0.000 -0.007
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.014 -0.004 0.007 1.114 0.000 0.006 0.006 -0.002 -0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.014 0.007 0.003 0.000 1.020 0.005 0.003 -0.007 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.018 0.006 0.005 0.006 0.005 1.073 0.000 -0.006 -0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.014 0.006 0.003 0.006 0.003 0.000 1.025 -0.002 -0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.007 -0.014 0.000 -0.002 -0.007 -0.006 -0.002 1.020 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.007 -0.002 -0.007 -0.014 0.000 -0.006 -0.002 0.000 1.020
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.552 0.037 0.023 0.037 0.023 0.037 0.023 -0.013 -0.013
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.037 0.552 0.007 0.015 -0.013 -0.013 -0.006 0.023 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.023 0.007 0.917 -0.013 0.000 -0.001 0.003 -0.003 0.016
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.037 0.015 -0.013 0.552 0.007 -0.013 -0.006 0.004 0.023
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.023 -0.013 0.000 0.007 0.917 -0.001 0.003 0.016 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.037 -0.013 -0.001 -0.013 -0.001 0.699 0.004 0.030 0.030
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.023 -0.006 0.003 -0.006 0.003 0.004 0.898 0.004 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.013 0.023 -0.003 0.004 0.016 0.030 0.004 0.917 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.013 0.004 0.016 0.023 -0.003 0.030 0.004 0.001 0.917
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.899 0.011 0.012 0.011 0.012 0.014 0.012 -0.005 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.011 0.899 0.000 0.004 -0.005 -0.005 -0.005 0.012 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.012 0.000 0.980 -0.005 -0.003 -0.004 -0.003 0.000 0.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.011 0.004 -0.005 0.899 0.000 -0.005 -0.005 0.002 0.012
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.012 -0.005 -0.003 0.000 0.980 -0.004 -0.003 0.006 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.014 -0.005 -0.004 -0.005 -0.004 0.933 0.001 0.005 0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.012 -0.005 -0.003 -0.005 -0.003 0.001 0.976 0.002 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.005 0.012 0.000 0.002 0.006 0.005 0.002 0.980 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.005 0.002 0.006 0.012 0.000 0.005 0.002 0.000 0.980
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 1990
-P-0000 -cpu time = 5405.42 seconds
-P-0000 -real time = 5559.00 seconds
-P-0000
q-point number 20 q = ( 0.500000, 0.500000,-0.500000) [r.l.u.]
-P-0000 timing point number 2000
-P-0000 -cpu time = 5405.42 seconds
-P-0000 -real time = 5559.00 seconds
-P-0000
findggp : Analyzing symmetries at q point : 0.50000 0.50000-0.50000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 1 + TimeReversal preserves q
symq3 : found symmetry 2 preserves q
symq3 : found symmetry 2 + TimeReversal preserves q
symq3 : found symmetry 3 preserves q
symq3 : found symmetry 3 + TimeReversal preserves q
symq3 : found symmetry 4 preserves q
symq3 : found symmetry 4 + TimeReversal preserves q
symq3 : found symmetry 5 preserves q
symq3 : found symmetry 5 + TimeReversal preserves q
symq3 : found symmetry 6 preserves q
symq3 : found symmetry 6 + TimeReversal preserves q
symq3 : found symmetry 7 preserves q
symq3 : found symmetry 7 + TimeReversal preserves q
symq3 : found symmetry 8 preserves q
symq3 : found symmetry 8 + TimeReversal preserves q
symq3 : found symmetry 9 preserves q
symq3 : found symmetry 9 + TimeReversal preserves q
symq3 : found symmetry 10 preserves q
symq3 : found symmetry 10 + TimeReversal preserves q
symq3 : found symmetry 11 preserves q
symq3 : found symmetry 11 + TimeReversal preserves q
symq3 : found symmetry 12 preserves q
symq3 : found symmetry 12 + TimeReversal preserves q
symq3 : found symmetry 13 preserves q
symq3 : found symmetry 13 + TimeReversal preserves q
symq3 : found symmetry 14 preserves q
symq3 : found symmetry 14 + TimeReversal preserves q
symq3 : found symmetry 15 preserves q
symq3 : found symmetry 15 + TimeReversal preserves q
symq3 : found symmetry 16 preserves q
symq3 : found symmetry 16 + TimeReversal preserves q
symq3 : found symmetry 17 preserves q
symq3 : found symmetry 17 + TimeReversal preserves q
symq3 : found symmetry 18 preserves q
symq3 : found symmetry 18 + TimeReversal preserves q
symq3 : found symmetry 19 preserves q
symq3 : found symmetry 19 + TimeReversal preserves q
symq3 : found symmetry 20 preserves q
symq3 : found symmetry 20 + TimeReversal preserves q
symq3 : found symmetry 21 preserves q
symq3 : found symmetry 21 + TimeReversal preserves q
symq3 : found symmetry 22 preserves q
symq3 : found symmetry 22 + TimeReversal preserves q
symq3 : found symmetry 23 preserves q
symq3 : found symmetry 23 + TimeReversal preserves q
symq3 : found symmetry 24 preserves q
symq3 : found symmetry 24 + TimeReversal preserves q
findggp : number of independent (G,G') pairs found = 182073 / 546121
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
-P-0000 P screening : treating k-point 1 and spin 1 by node 0
-P-0000 P screening : treating k-point 2 and spin 1 by node 0
-P-0000 P screening : treating k-point 3 and spin 1 by node 0
-P-0000 P screening : treating k-point 4 and spin 1 by node 0
-P-0000 P screening : treating k-point 5 and spin 1 by node 0
-P-0000 P screening : treating k-point 6 and spin 1 by node 0
-P-0000 P screening : treating k-point 7 and spin 1 by node 0
-P-0000 P screening : treating k-point 8 and spin 1 by node 0
-P-0000 P screening : treating k-point 9 and spin 1 by node 0
-P-0000 P screening : treating k-point 10 and spin 1 by node 0
-P-0000 P screening : treating k-point 11 and spin 1 by node 0
-P-0000 P screening : treating k-point 12 and spin 1 by node 0
-P-0000 P screening : treating k-point 13 and spin 1 by node 0
-P-0000 P screening : treating k-point 14 and spin 1 by node 0
-P-0000 P screening : treating k-point 15 and spin 1 by node 0
-P-0000 P screening : treating k-point 16 and spin 1 by node 0
-P-0000 P screening : treating k-point 17 and spin 1 by node 0
-P-0000 P screening : treating k-point 18 and spin 1 by node 0
-P-0000 P screening : treating k-point 19 and spin 1 by node 0
-P-0000 P screening : treating k-point 20 and spin 1 by node 0
-P-0000 P screening : treating k-point 21 and spin 1 by node 0
-P-0000 P screening : treating k-point 22 and spin 1 by node 0
-P-0000 P screening : treating k-point 23 and spin 1 by node 0
-P-0000 P screening : treating k-point 24 and spin 1 by node 0
-P-0000 P screening : treating k-point 25 and spin 1 by node 0
-P-0000 P screening : treating k-point 26 and spin 1 by node 0
-P-0000 P screening : treating k-point 27 and spin 1 by node 0
-P-0000 P screening : treating k-point 28 and spin 1 by node 1
-P-0000 P screening : treating k-point 29 and spin 1 by node 1
-P-0000 P screening : treating k-point 30 and spin 1 by node 1
-P-0000 P screening : treating k-point 31 and spin 1 by node 1
-P-0000 P screening : treating k-point 32 and spin 1 by node 1
-P-0000 P screening : treating k-point 33 and spin 1 by node 1
-P-0000 P screening : treating k-point 34 and spin 1 by node 1
-P-0000 P screening : treating k-point 35 and spin 1 by node 1
-P-0000 P screening : treating k-point 36 and spin 1 by node 1
-P-0000 P screening : treating k-point 37 and spin 1 by node 1
-P-0000 P screening : treating k-point 38 and spin 1 by node 1
-P-0000 P screening : treating k-point 39 and spin 1 by node 1
-P-0000 P screening : treating k-point 40 and spin 1 by node 1
-P-0000 P screening : treating k-point 41 and spin 1 by node 1
-P-0000 P screening : treating k-point 42 and spin 1 by node 1
-P-0000 P screening : treating k-point 43 and spin 1 by node 1
-P-0000 P screening : treating k-point 44 and spin 1 by node 1
-P-0000 P screening : treating k-point 45 and spin 1 by node 1
-P-0000 P screening : treating k-point 46 and spin 1 by node 1
-P-0000 P screening : treating k-point 47 and spin 1 by node 1
-P-0000 P screening : treating k-point 48 and spin 1 by node 1
-P-0000 P screening : treating k-point 49 and spin 1 by node 1
-P-0000 P screening : treating k-point 50 and spin 1 by node 1
-P-0000 P screening : treating k-point 51 and spin 1 by node 1
-P-0000 P screening : treating k-point 52 and spin 1 by node 1
-P-0000 P screening : treating k-point 53 and spin 1 by node 1
-P-0000 P screening : treating k-point 54 and spin 1 by node 1
-P-0000 P screening : treating k-point 55 and spin 1 by node 2
-P-0000 P screening : treating k-point 56 and spin 1 by node 2
-P-0000 P screening : treating k-point 57 and spin 1 by node 2
-P-0000 P screening : treating k-point 58 and spin 1 by node 2
-P-0000 P screening : treating k-point 59 and spin 1 by node 2
-P-0000 P screening : treating k-point 60 and spin 1 by node 2
-P-0000 P screening : treating k-point 61 and spin 1 by node 2
-P-0000 P screening : treating k-point 62 and spin 1 by node 2
-P-0000 P screening : treating k-point 63 and spin 1 by node 2
-P-0000 P screening : treating k-point 64 and spin 1 by node 2
-P-0000 P screening : treating k-point 65 and spin 1 by node 2
-P-0000 P screening : treating k-point 66 and spin 1 by node 2
-P-0000 P screening : treating k-point 67 and spin 1 by node 2
-P-0000 P screening : treating k-point 68 and spin 1 by node 2
-P-0000 P screening : treating k-point 69 and spin 1 by node 2
-P-0000 P screening : treating k-point 70 and spin 1 by node 2
-P-0000 P screening : treating k-point 71 and spin 1 by node 2
-P-0000 P screening : treating k-point 72 and spin 1 by node 2
-P-0000 P screening : treating k-point 73 and spin 1 by node 2
-P-0000 P screening : treating k-point 74 and spin 1 by node 2
-P-0000 P screening : treating k-point 75 and spin 1 by node 2
-P-0000 P screening : treating k-point 76 and spin 1 by node 2
-P-0000 P screening : treating k-point 77 and spin 1 by node 2
-P-0000 P screening : treating k-point 78 and spin 1 by node 2
-P-0000 P screening : treating k-point 79 and spin 1 by node 2
-P-0000 P screening : treating k-point 80 and spin 1 by node 2
-P-0000 P screening : treating k-point 81 and spin 1 by node 2
-P-0000 P screening : treating k-point 82 and spin 1 by node 3
-P-0000 P screening : treating k-point 83 and spin 1 by node 3
-P-0000 P screening : treating k-point 84 and spin 1 by node 3
-P-0000 P screening : treating k-point 85 and spin 1 by node 3
-P-0000 P screening : treating k-point 86 and spin 1 by node 3
-P-0000 P screening : treating k-point 87 and spin 1 by node 3
-P-0000 P screening : treating k-point 88 and spin 1 by node 3
-P-0000 P screening : treating k-point 89 and spin 1 by node 3
-P-0000 P screening : treating k-point 90 and spin 1 by node 3
-P-0000 P screening : treating k-point 91 and spin 1 by node 3
-P-0000 P screening : treating k-point 92 and spin 1 by node 3
-P-0000 P screening : treating k-point 93 and spin 1 by node 3
-P-0000 P screening : treating k-point 94 and spin 1 by node 3
-P-0000 P screening : treating k-point 95 and spin 1 by node 3
-P-0000 P screening : treating k-point 96 and spin 1 by node 3
-P-0000 P screening : treating k-point 97 and spin 1 by node 3
-P-0000 P screening : treating k-point 98 and spin 1 by node 3
-P-0000 P screening : treating k-point 99 and spin 1 by node 3
-P-0000 P screening : treating k-point 100 and spin 1 by node 3
-P-0000 P screening : treating k-point 101 and spin 1 by node 3
-P-0000 P screening : treating k-point 102 and spin 1 by node 3
-P-0000 P screening : treating k-point 103 and spin 1 by node 3
-P-0000 P screening : treating k-point 104 and spin 1 by node 3
-P-0000 P screening : treating k-point 105 and spin 1 by node 3
-P-0000 P screening : treating k-point 106 and spin 1 by node 3
-P-0000 P screening : treating k-point 107 and spin 1 by node 3
-P-0000 P screening : treating k-point 108 and spin 1 by node 3
-P-0000 P screening : treating k-point 109 and spin 1 by node 4
-P-0000 P screening : treating k-point 110 and spin 1 by node 4
-P-0000 P screening : treating k-point 111 and spin 1 by node 4
-P-0000 P screening : treating k-point 112 and spin 1 by node 4
-P-0000 P screening : treating k-point 113 and spin 1 by node 4
-P-0000 P screening : treating k-point 114 and spin 1 by node 4
-P-0000 P screening : treating k-point 115 and spin 1 by node 4
-P-0000 P screening : treating k-point 116 and spin 1 by node 4
-P-0000 P screening : treating k-point 117 and spin 1 by node 4
-P-0000 P screening : treating k-point 118 and spin 1 by node 4
-P-0000 P screening : treating k-point 119 and spin 1 by node 4
-P-0000 P screening : treating k-point 120 and spin 1 by node 4
-P-0000 P screening : treating k-point 121 and spin 1 by node 4
-P-0000 P screening : treating k-point 122 and spin 1 by node 4
-P-0000 P screening : treating k-point 123 and spin 1 by node 4
-P-0000 P screening : treating k-point 124 and spin 1 by node 4
-P-0000 P screening : treating k-point 125 and spin 1 by node 4
-P-0000 P screening : treating k-point 126 and spin 1 by node 4
-P-0000 P screening : treating k-point 127 and spin 1 by node 4
-P-0000 P screening : treating k-point 128 and spin 1 by node 4
-P-0000 P screening : treating k-point 129 and spin 1 by node 4
-P-0000 P screening : treating k-point 130 and spin 1 by node 4
-P-0000 P screening : treating k-point 131 and spin 1 by node 4
-P-0000 P screening : treating k-point 132 and spin 1 by node 4
-P-0000 P screening : treating k-point 133 and spin 1 by node 4
-P-0000 P screening : treating k-point 134 and spin 1 by node 4
-P-0000 P screening : treating k-point 135 and spin 1 by node 4
-P-0000 P screening : treating k-point 136 and spin 1 by node 5
-P-0000 P screening : treating k-point 137 and spin 1 by node 5
-P-0000 P screening : treating k-point 138 and spin 1 by node 5
-P-0000 P screening : treating k-point 139 and spin 1 by node 5
-P-0000 P screening : treating k-point 140 and spin 1 by node 5
-P-0000 P screening : treating k-point 141 and spin 1 by node 5
-P-0000 P screening : treating k-point 142 and spin 1 by node 5
-P-0000 P screening : treating k-point 143 and spin 1 by node 5
-P-0000 P screening : treating k-point 144 and spin 1 by node 5
-P-0000 P screening : treating k-point 145 and spin 1 by node 5
-P-0000 P screening : treating k-point 146 and spin 1 by node 5
-P-0000 P screening : treating k-point 147 and spin 1 by node 5
-P-0000 P screening : treating k-point 148 and spin 1 by node 5
-P-0000 P screening : treating k-point 149 and spin 1 by node 5
-P-0000 P screening : treating k-point 150 and spin 1 by node 5
-P-0000 P screening : treating k-point 151 and spin 1 by node 5
-P-0000 P screening : treating k-point 152 and spin 1 by node 5
-P-0000 P screening : treating k-point 153 and spin 1 by node 5
-P-0000 P screening : treating k-point 154 and spin 1 by node 5
-P-0000 P screening : treating k-point 155 and spin 1 by node 5
-P-0000 P screening : treating k-point 156 and spin 1 by node 5
-P-0000 P screening : treating k-point 157 and spin 1 by node 5
-P-0000 P screening : treating k-point 158 and spin 1 by node 5
-P-0000 P screening : treating k-point 159 and spin 1 by node 5
-P-0000 P screening : treating k-point 160 and spin 1 by node 5
-P-0000 P screening : treating k-point 161 and spin 1 by node 5
-P-0000 P screening : treating k-point 162 and spin 1 by node 5
-P-0000 P screening : treating k-point 163 and spin 1 by node 6
-P-0000 P screening : treating k-point 164 and spin 1 by node 6
-P-0000 P screening : treating k-point 165 and spin 1 by node 6
-P-0000 P screening : treating k-point 166 and spin 1 by node 6
-P-0000 P screening : treating k-point 167 and spin 1 by node 6
-P-0000 P screening : treating k-point 168 and spin 1 by node 6
-P-0000 P screening : treating k-point 169 and spin 1 by node 6
-P-0000 P screening : treating k-point 170 and spin 1 by node 6
-P-0000 P screening : treating k-point 171 and spin 1 by node 6
-P-0000 P screening : treating k-point 172 and spin 1 by node 6
-P-0000 P screening : treating k-point 173 and spin 1 by node 6
-P-0000 P screening : treating k-point 174 and spin 1 by node 6
-P-0000 P screening : treating k-point 175 and spin 1 by node 6
-P-0000 P screening : treating k-point 176 and spin 1 by node 6
-P-0000 P screening : treating k-point 177 and spin 1 by node 6
-P-0000 P screening : treating k-point 178 and spin 1 by node 6
-P-0000 P screening : treating k-point 179 and spin 1 by node 6
-P-0000 P screening : treating k-point 180 and spin 1 by node 6
-P-0000 P screening : treating k-point 181 and spin 1 by node 6
-P-0000 P screening : treating k-point 182 and spin 1 by node 6
-P-0000 P screening : treating k-point 183 and spin 1 by node 6
-P-0000 P screening : treating k-point 184 and spin 1 by node 6
-P-0000 P screening : treating k-point 185 and spin 1 by node 6
-P-0000 P screening : treating k-point 186 and spin 1 by node 6
-P-0000 P screening : treating k-point 187 and spin 1 by node 6
-P-0000 P screening : treating k-point 188 and spin 1 by node 6
-P-0000 P screening : treating k-point 189 and spin 1 by node 6
-P-0000 P screening : treating k-point 190 and spin 1 by node 7
-P-0000 P screening : treating k-point 191 and spin 1 by node 7
-P-0000 P screening : treating k-point 192 and spin 1 by node 7
-P-0000 P screening : treating k-point 193 and spin 1 by node 7
-P-0000 P screening : treating k-point 194 and spin 1 by node 7
-P-0000 P screening : treating k-point 195 and spin 1 by node 7
-P-0000 P screening : treating k-point 196 and spin 1 by node 7
-P-0000 P screening : treating k-point 197 and spin 1 by node 7
-P-0000 P screening : treating k-point 198 and spin 1 by node 7
-P-0000 P screening : treating k-point 199 and spin 1 by node 7
-P-0000 P screening : treating k-point 200 and spin 1 by node 7
-P-0000 P screening : treating k-point 201 and spin 1 by node 7
-P-0000 P screening : treating k-point 202 and spin 1 by node 7
-P-0000 P screening : treating k-point 203 and spin 1 by node 7
-P-0000 P screening : treating k-point 204 and spin 1 by node 7
-P-0000 P screening : treating k-point 205 and spin 1 by node 7
-P-0000 P screening : treating k-point 206 and spin 1 by node 7
-P-0000 P screening : treating k-point 207 and spin 1 by node 7
-P-0000 P screening : treating k-point 208 and spin 1 by node 7
-P-0000 P screening : treating k-point 209 and spin 1 by node 7
-P-0000 P screening : treating k-point 210 and spin 1 by node 7
-P-0000 P screening : treating k-point 211 and spin 1 by node 7
-P-0000 P screening : treating k-point 212 and spin 1 by node 7
-P-0000 P screening : treating k-point 213 and spin 1 by node 7
-P-0000 P screening : treating k-point 214 and spin 1 by node 7
-P-0000 P screening : treating k-point 215 and spin 1 by node 7
-P-0000 P screening : treating k-point 216 and spin 1 by node 7
cchi0 : enter
wfrk in real space are in memory
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
calculation status ( 216 to be completed) :
cchi0 : ik = 1 / 216 is = 1 done by processor 0
cchi0 : ik = 2 / 216 is = 1 done by processor 0
cchi0 : ik = 3 / 216 is = 1 done by processor 0
cchi0 : ik = 4 / 216 is = 1 done by processor 0
cchi0 : ik = 5 / 216 is = 1 done by processor 0
cchi0 : ik = 6 / 216 is = 1 done by processor 0
cchi0 : ik = 7 / 216 is = 1 done by processor 0
cchi0 : ik = 8 / 216 is = 1 done by processor 0
cchi0 : ik = 9 / 216 is = 1 done by processor 0
cchi0 : ik = 10 / 216 is = 1 done by processor 0
cchi0 : ik = 11 / 216 is = 1 done by processor 0
cchi0 : ik = 12 / 216 is = 1 done by processor 0
cchi0 : ik = 13 / 216 is = 1 done by processor 0
cchi0 : ik = 14 / 216 is = 1 done by processor 0
cchi0 : ik = 15 / 216 is = 1 done by processor 0
cchi0 : ik = 16 / 216 is = 1 done by processor 0
cchi0 : ik = 17 / 216 is = 1 done by processor 0
cchi0 : ik = 18 / 216 is = 1 done by processor 0
cchi0 : ik = 19 / 216 is = 1 done by processor 0
cchi0 : ik = 20 / 216 is = 1 done by processor 0
cchi0 : ik = 21 / 216 is = 1 done by processor 0
cchi0 : ik = 22 / 216 is = 1 done by processor 0
cchi0 : ik = 23 / 216 is = 1 done by processor 0
cchi0 : ik = 24 / 216 is = 1 done by processor 0
cchi0 : ik = 25 / 216 is = 1 done by processor 0
cchi0 : ik = 26 / 216 is = 1 done by processor 0
cchi0 : ik = 27 / 216 is = 1 done by processor 0
cchi0 : exit
chi0(G,G') at the 1 th omega 0.0000 0.0000 [eV]
chi0(q= 20, omega= 1, G,G')
1 2 3 4 5 6 7 8 9
1 -12.320 2.292 1.182 1.179 2.290 1.176 2.289 -0.863 -0.667
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 2.292 -12.320 0.794 -0.430 -0.863 -0.427 -0.862 2.291 -0.360
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 1.182 0.794 -6.137 -0.171 -0.434 -0.167 -0.433 0.388 1.538
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 1.179 -0.430 -0.171 -6.133 0.802 -0.163 -0.430 0.384 1.539
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 2.290 -0.863 -0.434 0.802 -12.320 -0.425 -0.860 2.292 -0.362
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 1.176 -0.427 -0.167 -0.163 -0.425 -6.130 0.811 2.112 0.241
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 2.289 -0.862 -0.433 -0.430 -0.860 0.811 -12.321 -2.763 -0.631
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.863 2.291 0.388 0.384 2.292 2.112 -2.763 -12.321 0.037
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.667 -0.360 1.538 1.539 -0.362 0.241 -0.631 0.037 -2.581
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
chi0(G,G') at the 2 th omega 0.0000 16.7000 [eV]
chi0(q= 20, omega= 2, G,G')
1 2 3 4 5 6 7 8 9
1 -1.737 0.329 0.419 0.418 0.329 0.418 0.328 -0.115 -0.181
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.329 -1.737 0.040 -0.158 -0.115 -0.157 -0.114 0.329 -0.046
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.419 0.040 -1.274 -0.209 -0.158 -0.208 -0.158 0.058 0.400
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.418 -0.158 -0.209 -1.273 0.042 -0.207 -0.157 0.057 0.400
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.329 -0.115 -0.158 0.042 -1.737 -0.157 -0.113 0.330 -0.047
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.418 -0.157 -0.208 -0.207 -0.157 -1.273 0.045 0.197 0.069
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.328 -0.114 -0.158 -0.157 -0.113 0.045 -1.737 -0.140 -0.034
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.115 0.329 0.058 0.057 0.330 0.197 -0.140 -1.737 0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.181 -0.046 0.400 0.400 -0.047 0.069 -0.034 0.017 -0.757
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 2010
-P-0000 -cpu time = 5583.12 seconds
-P-0000 -real time = 5738.49 seconds
-P-0000
epsilon(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 1.669 -0.124 -0.034 -0.033 -0.124 -0.033 -0.124 0.047 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.124 1.669 -0.023 0.012 0.047 0.012 0.047 -0.124 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.034 -0.023 1.091 0.003 0.012 0.002 0.012 -0.011 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.033 0.012 0.003 1.091 -0.023 0.002 0.012 -0.011 -0.017
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.124 0.047 0.012 -0.023 1.669 0.012 0.047 -0.124 0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.033 0.012 0.002 0.002 0.012 1.091 -0.023 -0.060 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.124 0.047 0.012 0.012 0.047 -0.023 1.669 0.150 0.014
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.047 -0.124 -0.011 -0.011 -0.124 -0.060 0.150 1.669 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.014 0.008 -0.017 -0.017 0.008 -0.003 0.014 -0.001 1.022
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 1.094 -0.018 -0.012 -0.012 -0.018 -0.012 -0.018 0.006 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 -0.018 1.094 -0.001 0.004 0.006 0.004 0.006 -0.018 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -0.012 -0.001 1.019 0.003 0.004 0.003 0.004 -0.002 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -0.012 0.004 0.003 1.019 -0.001 0.003 0.004 -0.002 -0.005
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -0.018 0.006 0.004 -0.001 1.094 0.004 0.006 -0.018 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.012 0.004 0.003 0.003 0.004 1.019 -0.001 -0.006 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.018 0.006 0.004 0.004 0.006 -0.001 1.094 0.008 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.006 -0.018 -0.002 -0.002 -0.018 -0.006 0.008 1.094 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.004 0.001 -0.005 -0.005 0.001 -0.001 0.001 0.000 1.006
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 1 th omega 0.0000 0.0000 [eV]
1 2 3 4 5 6 7 8 9
1 0.623 0.044 0.019 0.019 0.044 0.019 0.044 -0.015 -0.009
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.044 0.623 0.012 -0.003 -0.015 -0.003 -0.015 0.044 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.019 0.012 0.922 -0.001 -0.003 0.000 -0.003 0.005 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.019 -0.003 -0.001 0.922 0.012 0.000 -0.003 0.005 0.015
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.044 -0.015 -0.003 0.012 0.623 -0.003 -0.015 0.044 -0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.019 -0.003 0.000 0.000 -0.003 0.922 0.012 0.030 0.002
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.044 -0.015 -0.003 -0.003 -0.015 0.012 0.623 -0.062 -0.008
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.015 0.044 0.005 0.005 0.044 0.030 -0.062 0.623 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.009 -0.004 0.015 0.015 -0.004 0.002 -0.008 0.001 0.980
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
epsilon^-1(G,G') at the 2 th omega 0.0000 16.7000 [eV]
1 2 3 4 5 6 7 8 9
1 0.915 0.014 0.010 0.010 0.014 0.010 0.014 -0.005 -0.003
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2 0.014 0.915 0.001 -0.004 -0.005 -0.004 -0.005 0.014 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.010 0.001 0.982 -0.003 -0.004 -0.003 -0.004 0.001 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 0.010 -0.004 -0.003 0.982 0.001 -0.003 -0.004 0.001 0.004
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 0.014 -0.005 -0.004 0.001 0.915 -0.004 -0.005 0.014 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.010 -0.004 -0.003 -0.003 -0.004 0.982 0.001 0.005 0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.014 -0.005 -0.004 -0.004 -0.005 0.001 0.915 -0.007 -0.001
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.005 0.014 0.001 0.001 0.014 0.005 -0.007 0.915 0.000
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 -0.003 -0.001 0.004 0.004 -0.001 0.001 -0.001 0.000 0.994
0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
-P-0000 timing point number 2090
-P-0000 -cpu time = 5589.04 seconds
-P-0000 -real time = 5746.25 seconds
-P-0000
-P-0000 +Overall time at end (sec) : cpu= 5589.1 wall= 5746.3
screening ended
driver : after respfn
driver : 0
driver : 1
driver : 2
-P-0000
-P-0000
================================================================================
-P-0000 == DATASET 3
==================================================================
-P-0000
dtsetcopy : copying area algalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area istwfk the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kberry the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area nband the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : allocated densty= T
dtsetcopy : copying area kpt the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kptns the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area occ_orig the actual size ( ) of the index
( ) differs from its standard size (Ð )
dtsetcopy : copying area shiftk the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area wtk the actual size ( ) of the index
( ) differs from its standard size (
)
mkfilename : getscr/=0, take file _SCR from output of DATASET 2.
mkfilename : getkss/=0, take file _KSS from output of DATASET 1.
getdim_nloc : deduce lmnmax = 16, lnmax = 4,
lmnmaxso= 16, lnmaxso= 4.
SIGMA: Calculation of the GW corrections
Based on a program developped by R.W. Godby, V. Olevano, G. Onida, and L.
Reining.
Incorporated in ABINIT by V. Olevano, G.-M. Rignanese, and M. Torrent.
GW calculation type : 0
Parameter used to calculate Sigma derivatives :
number of point to evaluate derivative = 9
frequency range [eV] = 1.000000
frequency step [eV] = 0.250000
zcut for avoiding poles in sigma [eV] = 0.100000
Unit cell volume ucvol= 4.7774989E+02 bohr^3
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
setshells : ecut_trial= 10.00
setshells: WARNING -
The value ecutwfn= 0.100000E+02 given in the input file leads to
the same values for nshwfn and npwwfn as ecutwfn= 0.968985E+01
This value will be adopted for the calculation.
setshells : ecut_trial= 10.00
setshells: WARNING -
The value ecutmat= 0.100000E+02 given in the input file leads to
the same values for nshmat and npwmat as ecutmat= 0.968985E+01
This value will be adopted for the calculation.
testlda : testing Kohn-Sham structure file testo_DS1_KSS
-----------------------------------------------
KSS abinit double precision form
generated by ABINIT 5.4.4 header version 53
title of file:
Results from ABINIT code
Ab-initio plane waves calculation
number of atomic species 2
number of atoms 2
number of ang mom components 4
number of symmetry operations 24
number of plane waves 4801
number of k-points 20
number of bands 200
number of spin polarisations 1
-----------------------------------------------
testlda : WARNING - the code does not use the original set of symmetries :
hdr%nsym/=nsym2
ibocc, nbvw, nbcw = 0 0 200
rdkss : reading Kohn-Sham structure file testo_DS1_KSS
Kohn Sham Structure double precision file
===============================================================================
ECHO of the ABINIT file header
First record :
.codvsn,headform,fform = 5.4.4 53 502
Second record :
bantot,intxc,ixc,natom = 600 0 7 2
ngfft(1:3),nkpt = 40 40 40 20
nspden,nspinor = 1 1
nsppol,nsym,npsp,ntypat = 1 48 2 2
occopt,pertcase,usepaw = 1 0 0
ecut,ecutdg,ecutsm = 3.0000000000E+01 3.0000000000E+01
0.0000000000E+00
ecut_eff = 3.0000000000E+01
qptn(1:3) = 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00
rprimd(1:3,1) = 7.8174815480E+00 0.0000000000E+00
0.0000000000E+00
rprimd(1:3,2) = 0.0000000000E+00 7.8174815480E+00
0.0000000000E+00
rprimd(1:3,3) = 0.0000000000E+00 0.0000000000E+00
7.8174815480E+00
stmbias,tphysel,tsmear = 0.0000000000E+00 0.0000000000E+00
4.0000000000E-02
Third record :
istwfk= 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
nband = 30 30 30 30 30 30 30 30 30 30 30 30
30 30 30 30 30 30 30 30
npwarr= 3743 3779 3755 3764 3757 3757 3732 3744 3742 3724
3761 3755 3746 3742 3750 3748 3734 3754 3736 3840
so_psp= 1 1
symafm=
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1
symrel=
1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0
0 -1
-1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0
0 1
-1 0 0 0 -1 0 0 0 1 1 0 0 0 1 0 0
0 -1
1 0 0 0 -1 0 0 0 -1 -1 0 0 0 1 0 0
0 1
0 1 0 1 0 0 0 0 1 0 -1 0 -1 0 0 0
0 -1
0 -1 0 1 0 0 0 0 -1 0 1 0 -1 0 0 0
0 1
0 -1 0 -1 0 0 0 0 1 0 1 0 1 0 0 0
0 -1
0 1 0 -1 0 0 0 0 -1 0 -1 0 1 0 0 0
0 1
0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0
-1 0
0 0 -1 1 0 0 0 -1 0 0 0 1 -1 0 0 0
1 0
0 0 -1 -1 0 0 0 1 0 0 0 1 1 0 0 0
-1 0
0 0 1 -1 0 0 0 -1 0 0 0 -1 1 0 0 0
1 0
1 0 0 0 0 1 0 1 0 -1 0 0 0 0 -1 0
-1 0
-1 0 0 0 0 1 0 -1 0 1 0 0 0 0 -1 0
1 0
-1 0 0 0 0 -1 0 1 0 1 0 0 0 0 1 0
-1 0
1 0 0 0 0 -1 0 -1 0 -1 0 0 0 0 1 0
1 0
0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 -1
0 0
0 -1 0 0 0 1 -1 0 0 0 1 0 0 0 -1 1
0 0
0 -1 0 0 0 -1 1 0 0 0 1 0 0 0 1 -1
0 0
0 1 0 0 0 -1 -1 0 0 0 -1 0 0 0 1 1
0 0
0 0 1 0 1 0 1 0 0 0 0 -1 0 -1 0 -1
0 0
0 0 -1 0 1 0 -1 0 0 0 0 1 0 -1 0 1
0 0
0 0 -1 0 -1 0 1 0 0 0 0 1 0 1 0 -1
0 0
0 0 1 0 -1 0 -1 0 0 0 0 -1 0 1 0 1
0 0
type = 1 2
kptns = (max 50 k-points will be written)
0.000000E+00 0.000000E+00 0.000000E+00
1.666667E-01 0.000000E+00 0.000000E+00
3.333333E-01 0.000000E+00 0.000000E+00
5.000000E-01 0.000000E+00 0.000000E+00
1.666667E-01 1.666667E-01 0.000000E+00
3.333333E-01 1.666667E-01 0.000000E+00
5.000000E-01 1.666667E-01 0.000000E+00
3.333333E-01 3.333333E-01 0.000000E+00
5.000000E-01 3.333333E-01 0.000000E+00
5.000000E-01 5.000000E-01 0.000000E+00
1.666667E-01 1.666667E-01 1.666667E-01
3.333333E-01 1.666667E-01 1.666667E-01
5.000000E-01 1.666667E-01 1.666667E-01
3.333333E-01 3.333333E-01 1.666667E-01
5.000000E-01 3.333333E-01 1.666667E-01
5.000000E-01 5.000000E-01 1.666667E-01
3.333333E-01 3.333333E-01 3.333333E-01
5.000000E-01 3.333333E-01 3.333333E-01
5.000000E-01 5.000000E-01 3.333333E-01
5.000000E-01 5.000000E-01 5.000000E-01
wtk =
0.00 0.03 0.03 0.01 0.06 0.11 0.06 0.06 0.06 0.01
0.04 0.11 0.06 0.11 0.11 0.03 0.04 0.06 0.03 0.00
occ =
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
tnons =
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
znucl= 56.00 52.00
Pseudopotential info :
title=barium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 0 local
znuclpsp= 56.00, zionpsp= 2.00, pspso= 0, pspdat= 11001, pspcod= 6,
pspxc= 7
lmnmax = 4
title=tellurium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 0 local
znuclpsp= 52.00, zionpsp= 6.00, pspso= 0, pspdat= 11001, pspcod= 6,
pspxc= 7
lmnmax = 4
Last record :
residm,etot,fermie= 3.623280E-05 -9.727535818308E+00 -1.508658E-01
xred =
0.000000E+00 0.000000E+00 0.000000E+00
5.000000E-01 5.000000E-01 5.000000E-01
End the ECHO of the ABINIT file header
===============================================================================
Results from ABINIT code
Ab-initio plane waves calculation
number of electrons 8
number of symmetries without inversion 24
number of bands 200
number of plane waves 4801
number of shells 160
maximum angular momentum for PSPs+1 4
Symmorphic Space group :
Rotations Translations
1 0 0 0 1 0 0 0 1 0.0000000 0.0000000 0.0000000
-1 0 0 0 1 0 0 0 -1 0.0000000 0.0000000 0.0000000
-1 0 0 0 -1 0 0 0 1 0.0000000 0.0000000 0.0000000
1 0 0 0 -1 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 -1 0 -1 0 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 1 0 -1 0 0 0 0 1 0.0000000 0.0000000 0.0000000
0 1 0 1 0 0 0 0 -1 0.0000000 0.0000000 0.0000000
0 -1 0 1 0 0 0 0 1 0.0000000 0.0000000 0.0000000
0 0 1 1 0 0 0 1 0 0.0000000 0.0000000 0.0000000
0 0 -1 1 0 0 0 -1 0 0.0000000 0.0000000 0.0000000
0 0 -1 -1 0 0 0 1 0 0.0000000 0.0000000 0.0000000
0 0 1 -1 0 0 0 -1 0 0.0000000 0.0000000 0.0000000
-1 0 0 0 0 -1 0 -1 0 0.0000000 0.0000000 0.0000000
1 0 0 0 0 -1 0 1 0 0.0000000 0.0000000 0.0000000
1 0 0 0 0 1 0 -1 0 0.0000000 0.0000000 0.0000000
-1 0 0 0 0 1 0 1 0 0.0000000 0.0000000 0.0000000
0 1 0 0 0 1 1 0 0 0.0000000 0.0000000 0.0000000
0 -1 0 0 0 1 -1 0 0 0.0000000 0.0000000 0.0000000
0 -1 0 0 0 -1 1 0 0 0.0000000 0.0000000 0.0000000
0 1 0 0 0 -1 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 -1 0 -1 0 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 1 0 -1 0 1 0 0 0.0000000 0.0000000 0.0000000
0 0 1 0 1 0 -1 0 0 0.0000000 0.0000000 0.0000000
0 0 -1 0 1 0 1 0 0 0.0000000 0.0000000 0.0000000
shell limit G-vectors [reduced coordinates]
1 1 1 ( 0 0 0)
2 7 2 ( -1 0 0) 3 ( 1 0 0) 4 ( 0 1 0) 5 ( 0 -1
0)
6 ( 0 0 -1) 7 ( 0 0 1)
3 19 8 ( -1 -1 0) 9 ( 1 1 0) 10 ( 1 -1 0) 11 ( -1 1
0)
12 ( 0 -1 -1) 13 ( 0 1 1) 14 ( 0 -1 1) 15 ( 0 1
-1)
16 ( 1 0 1) 17 ( -1 0 -1) 18 ( -1 0 1) 19 ( 1 0
-1)
4 27 20 ( -1 -1 -1) 21 ( 1 1 1) 22 ( 1 -1 1) 23 ( -1 1
-1)
24 ( 1 1 -1) 25 ( -1 -1 1) 26 ( -1 1 1) 27 ( 1 -1
-1)
5 33 28 ( -2 0 0) 29 ( 2 0 0) 30 ( 0 2 0) 31 ( 0 -2
0)
32 ( 0 0 -2) 33 ( 0 0 2)
6 57 34 ( -2 -1 0) 35 ( 2 1 0) 36 ( 2 -1 0) 37 ( -2 1
0)
38 ( 1 2 0) 39 ( -1 -2 0) 40 ( -1 2 0) 41 ( 1 -2
0)
42 ( 0 -2 -1) 43 ( 0 2 1) 44 ( 0 -2 1) 45 ( 0 2
-1)
46 ( 2 0 1) 47 ( -2 0 -1) 48 ( -2 0 1) 49 ( 2 0
-1)
50 ( -1 0 -2) 51 ( 1 0 2) 52 ( 1 0 -2) 53 ( -1 0
2)
54 ( 0 1 2) 55 ( 0 -1 -2) 56 ( 0 1 -2) 57 ( 0 -1
2)
7 81 58 ( -2 -1 -1) 59 ( 2 1 1) 60 ( 2 -1 1) 61 ( -2 1
-1)
62 ( 2 1 -1) 63 ( -2 -1 1) 64 ( -2 1 1) 65 ( 2 -1
-1)
66 ( 1 2 1) 67 ( -1 -2 -1) 68 ( -1 2 -1) 69 ( 1 -2
1)
70 ( -1 -2 1) 71 ( 1 2 -1) 72 ( 1 -2 -1) 73 ( -1 2
1)
74 ( -1 -1 -2) 75 ( 1 1 2) 76 ( 1 -1 2) 77 ( -1 1
-2)
78 ( 1 1 -2) 79 ( -1 -1 2) 80 ( -1 1 2) 81 ( 1 -1
-2)
8 93 82 ( -2 -2 0) 83 ( 2 2 0) 84 ( 2 -2 0) 85 ( -2 2
0)
86 ( 0 -2 -2) 87 ( 0 2 2) 88 ( 0 -2 2) 89 ( 0 2
-2)
90 ( 2 0 2) 91 ( -2 0 -2) 92 ( -2 0 2) 93 ( 2 0
-2)
9 99 94 ( -3 0 0) 95 ( 3 0 0) 96 ( 0 3 0) 97 ( 0 -3
0)
98 ( 0 0 -3) 99 ( 0 0 3)
10 123 100 ( -2 -2 -1) 101 ( 2 2 1) 102 ( 2 -2 1) 103 ( -2 2
-1)
104 ( 2 2 -1) 105 ( -2 -2 1) 106 ( -2 2 1) 107 ( 2 -2
-1)
108 ( -1 -2 -2) 109 ( 1 2 2) 110 ( 1 -2 2) 111 ( -1 2
-2)
112 ( 1 2 -2) 113 ( -1 -2 2) 114 ( -1 2 2) 115 ( 1 -2
-2)
116 ( 2 1 2) 117 ( -2 -1 -2) 118 ( -2 1 -2) 119 ( 2 -1
2)
120 ( -2 -1 2) 121 ( 2 1 -2) 122 ( 2 -1 -2) 123 ( -2 1
2)
11 147 124 ( -3 -1 0) 125 ( 3 1 0) 126 ( 3 -1 0) 127 ( -3 1
0)
128 ( 1 3 0) 129 ( -1 -3 0) 130 ( -1 3 0) 131 ( 1 -3
0)
132 ( 0 -3 -1) 133 ( 0 3 1) 134 ( 0 -3 1) 135 ( 0 3
-1)
136 ( 3 0 1) 137 ( -3 0 -1) 138 ( -3 0 1) 139 ( 3 0
-1)
140 ( -1 0 -3) 141 ( 1 0 3) 142 ( 1 0 -3) 143 ( -1 0
3)
144 ( 0 1 3) 145 ( 0 -1 -3) 146 ( 0 1 -3) 147 ( 0 -1
3)
12 171 148 ( -3 -1 -1) 149 ( 3 1 1) 150 ( 3 -1 1) 151 ( -3 1
-1)
152 ( 3 1 -1) 153 ( -3 -1 1) 154 ( -3 1 1) 155 ( 3 -1
-1)
156 ( 1 3 1) 157 ( -1 -3 -1) 158 ( -1 3 -1) 159 ( 1 -3
1)
160 ( -1 -3 1) 161 ( 1 3 -1) 162 ( 1 -3 -1) 163 ( -1 3
1)
164 ( -1 -1 -3) 165 ( 1 1 3) 166 ( 1 -1 3) 167 ( -1 1
-3)
168 ( 1 1 -3) 169 ( -1 -1 3) 170 ( -1 1 3) 171 ( 1 -1
-3)
13 179 172 ( -2 -2 -2) 173 ( 2 2 2) 174 ( 2 -2 2) 175 ( -2 2
-2)
176 ( 2 2 -2) 177 ( -2 -2 2) 178 ( -2 2 2) 179 ( 2 -2
-2)
14 203 180 ( -3 -2 0) 181 ( 3 2 0) 182 ( 3 -2 0) 183 ( -3 2
0)
184 ( 2 3 0) 185 ( -2 -3 0) 186 ( -2 3 0) 187 ( 2 -3
0)
188 ( 0 -3 -2) 189 ( 0 3 2) 190 ( 0 -3 2) 191 ( 0 3
-2)
192 ( 3 0 2) 193 ( -3 0 -2) 194 ( -3 0 2) 195 ( 3 0
-2)
196 ( -2 0 -3) 197 ( 2 0 3) 198 ( 2 0 -3) 199 ( -2 0
3)
200 ( 0 2 3) 201 ( 0 -2 -3) 202 ( 0 2 -3) 203 ( 0 -2
3)
15 251 204 ( -3 -2 -1) 205 ( 3 2 1) 206 ( 3 -2 1) 207 ( -3 2
-1)
208 ( 3 2 -1) 209 ( -3 -2 1) 210 ( -3 2 1) 211 ( 3 -2
-1)
212 ( 2 3 1) 213 ( -2 -3 -1) 214 ( -2 3 -1) 215 ( 2 -3
1)
216 ( -2 -3 1) 217 ( 2 3 -1) 218 ( 2 -3 -1) 219 ( -2 3
1)
220 ( -1 -3 -2) 221 ( 1 3 2) 222 ( 1 -3 2) 223 ( -1 3
-2)
224 ( 1 3 -2) 225 ( -1 -3 2) 226 ( -1 3 2) 227 ( 1 -3
-2)
228 ( 3 1 2) 229 ( -3 -1 -2) 230 ( -3 1 -2) 231 ( 3 -1
2)
232 ( -3 -1 2) 233 ( 3 1 -2) 234 ( 3 -1 -2) 235 ( -3 1
2)
236 ( -2 -1 -3) 237 ( 2 1 3) 238 ( 2 -1 3) 239 ( -2 1
-3)
240 ( 2 1 -3) 241 ( -2 -1 3) 242 ( -2 1 3) 243 ( 2 -1
-3)
244 ( 1 2 3) 245 ( -1 -2 -3) 246 ( -1 2 -3) 247 ( 1 -2
3)
248 ( -1 -2 3) 249 ( 1 2 -3) 250 ( 1 -2 -3) 251 ( -1 2
3)
16 257 252 ( -4 0 0) 253 ( 4 0 0) 254 ( 0 4 0) 255 ( 0 -4
0)
256 ( 0 0 -4) 257 ( 0 0 4)
17 281 258 ( -4 -1 0) 259 ( 4 1 0) 260 ( 4 -1 0) 261 ( -4 1
0)
262 ( 1 4 0) 263 ( -1 -4 0) 264 ( -1 4 0) 265 ( 1 -4
0)
266 ( 0 -4 -1) 267 ( 0 4 1) 268 ( 0 -4 1) 269 ( 0 4
-1)
270 ( 4 0 1) 271 ( -4 0 -1) 272 ( -4 0 1) 273 ( 4 0
-1)
274 ( -1 0 -4) 275 ( 1 0 4) 276 ( 1 0 -4) 277 ( -1 0
4)
278 ( 0 1 4) 279 ( 0 -1 -4) 280 ( 0 1 -4) 281 ( 0 -1
4)
18 305 282 ( -3 -2 -2) 283 ( 3 2 2) 284 ( 3 -2 2) 285 ( -3 2
-2)
286 ( 3 2 -2) 287 ( -3 -2 2) 288 ( -3 2 2) 289 ( 3 -2
-2)
290 ( 2 3 2) 291 ( -2 -3 -2) 292 ( -2 3 -2) 293 ( 2 -3
2)
294 ( -2 -3 2) 295 ( 2 3 -2) 296 ( 2 -3 -2) 297 ( -2 3
2)
298 ( -2 -2 -3) 299 ( 2 2 3) 300 ( 2 -2 3) 301 ( -2 2
-3)
302 ( 2 2 -3) 303 ( -2 -2 3) 304 ( -2 2 3) 305 ( 2 -2
-3)
19 317 306 ( -3 -3 0) 307 ( 3 3 0) 308 ( 3 -3 0) 309 ( -3 3
0)
310 ( 0 -3 -3) 311 ( 0 3 3) 312 ( 0 -3 3) 313 ( 0 3
-3)
314 ( 3 0 3) 315 ( -3 0 -3) 316 ( -3 0 3) 317 ( 3 0
-3)
20 341 318 ( -4 -1 -1) 319 ( 4 1 1) 320 ( 4 -1 1) 321 ( -4 1
-1)
322 ( 4 1 -1) 323 ( -4 -1 1) 324 ( -4 1 1) 325 ( 4 -1
-1)
326 ( 1 4 1) 327 ( -1 -4 -1) 328 ( -1 4 -1) 329 ( 1 -4
1)
330 ( -1 -4 1) 331 ( 1 4 -1) 332 ( 1 -4 -1) 333 ( -1 4
1)
334 ( -1 -1 -4) 335 ( 1 1 4) 336 ( 1 -1 4) 337 ( -1 1
-4)
338 ( 1 1 -4) 339 ( -1 -1 4) 340 ( -1 1 4) 341 ( 1 -1
-4)
21 365 342 ( -3 -3 -1) 343 ( 3 3 1) 344 ( 3 -3 1) 345 ( -3 3
-1)
346 ( 3 3 -1) 347 ( -3 -3 1) 348 ( -3 3 1) 349 ( 3 -3
-1)
350 ( -1 -3 -3) 351 ( 1 3 3) 352 ( 1 -3 3) 353 ( -1 3
-3)
354 ( 1 3 -3) 355 ( -1 -3 3) 356 ( -1 3 3) 357 ( 1 -3
-3)
358 ( 3 1 3) 359 ( -3 -1 -3) 360 ( -3 1 -3) 361 ( 3 -1
3)
362 ( -3 -1 3) 363 ( 3 1 -3) 364 ( 3 -1 -3) 365 ( -3 1
3)
22 389 366 ( -4 -2 0) 367 ( 4 2 0) 368 ( 4 -2 0) 369 ( -4 2
0)
370 ( 2 4 0) 371 ( -2 -4 0) 372 ( -2 4 0) 373 ( 2 -4
0)
374 ( 0 -4 -2) 375 ( 0 4 2) 376 ( 0 -4 2) 377 ( 0 4
-2)
378 ( 4 0 2) 379 ( -4 0 -2) 380 ( -4 0 2) 381 ( 4 0
-2)
382 ( -2 0 -4) 383 ( 2 0 4) 384 ( 2 0 -4) 385 ( -2 0
4)
386 ( 0 2 4) 387 ( 0 -2 -4) 388 ( 0 2 -4) 389 ( 0 -2
4)
23 437 390 ( -4 -2 -1) 391 ( 4 2 1) 392 ( 4 -2 1) 393 ( -4 2
-1)
394 ( 4 2 -1) 395 ( -4 -2 1) 396 ( -4 2 1) 397 ( 4 -2
-1)
398 ( 2 4 1) 399 ( -2 -4 -1) 400 ( -2 4 -1) 401 ( 2 -4
1)
402 ( -2 -4 1) 403 ( 2 4 -1) 404 ( 2 -4 -1) 405 ( -2 4
1)
406 ( -1 -4 -2) 407 ( 1 4 2) 408 ( 1 -4 2) 409 ( -1 4
-2)
410 ( 1 4 -2) 411 ( -1 -4 2) 412 ( -1 4 2) 413 ( 1 -4
-2)
414 ( 4 1 2) 415 ( -4 -1 -2) 416 ( -4 1 -2) 417 ( 4 -1
2)
418 ( -4 -1 2) 419 ( 4 1 -2) 420 ( 4 -1 -2) 421 ( -4 1
2)
422 ( -2 -1 -4) 423 ( 2 1 4) 424 ( 2 -1 4) 425 ( -2 1
-4)
426 ( 2 1 -4) 427 ( -2 -1 4) 428 ( -2 1 4) 429 ( 2 -1
-4)
430 ( 1 2 4) 431 ( -1 -2 -4) 432 ( -1 2 -4) 433 ( 1 -2
4)
434 ( -1 -2 4) 435 ( 1 2 -4) 436 ( 1 -2 -4) 437 ( -1 2
4)
24 461 438 ( -3 -3 -2) 439 ( 3 3 2) 440 ( 3 -3 2) 441 ( -3 3
-2)
442 ( 3 3 -2) 443 ( -3 -3 2) 444 ( -3 3 2) 445 ( 3 -3
-2)
446 ( -2 -3 -3) 447 ( 2 3 3) 448 ( 2 -3 3) 449 ( -2 3
-3)
450 ( 2 3 -3) 451 ( -2 -3 3) 452 ( -2 3 3) 453 ( 2 -3
-3)
454 ( 3 2 3) 455 ( -3 -2 -3) 456 ( -3 2 -3) 457 ( 3 -2
3)
458 ( -3 -2 3) 459 ( 3 2 -3) 460 ( 3 -2 -3) 461 ( -3 2
3)
25 485 462 ( -4 -2 -2) 463 ( 4 2 2) 464 ( 4 -2 2) 465 ( -4 2
-2)
466 ( 4 2 -2) 467 ( -4 -2 2) 468 ( -4 2 2) 469 ( 4 -2
-2)
470 ( 2 4 2) 471 ( -2 -4 -2) 472 ( -2 4 -2) 473 ( 2 -4
2)
474 ( -2 -4 2) 475 ( 2 4 -2) 476 ( 2 -4 -2) 477 ( -2 4
2)
478 ( -2 -2 -4) 479 ( 2 2 4) 480 ( 2 -2 4) 481 ( -2 2
-4)
482 ( 2 2 -4) 483 ( -2 -2 4) 484 ( -2 2 4) 485 ( 2 -2
-4)
26 491 486 ( -5 0 0) 487 ( 5 0 0) 488 ( 0 5 0) 489 ( 0 -5
0)
490 ( 0 0 -5) 491 ( 0 0 5)
27 515 492 ( -4 -3 0) 493 ( 4 3 0) 494 ( 4 -3 0) 495 ( -4 3
0)
496 ( 3 4 0) 497 ( -3 -4 0) 498 ( -3 4 0) 499 ( 3 -4
0)
500 ( 0 -4 -3) 501 ( 0 4 3) 502 ( 0 -4 3) 503 ( 0 4
-3)
504 ( 4 0 3) 505 ( -4 0 -3) 506 ( -4 0 3) 507 ( 4 0
-3)
508 ( -3 0 -4) 509 ( 3 0 4) 510 ( 3 0 -4) 511 ( -3 0
4)
512 ( 0 3 4) 513 ( 0 -3 -4) 514 ( 0 3 -4) 515 ( 0 -3
4)
28 539 516 ( -5 -1 0) 517 ( 5 1 0) 518 ( 5 -1 0) 519 ( -5 1
0)
520 ( 1 5 0) 521 ( -1 -5 0) 522 ( -1 5 0) 523 ( 1 -5
0)
524 ( 0 -5 -1) 525 ( 0 5 1) 526 ( 0 -5 1) 527 ( 0 5
-1)
528 ( 5 0 1) 529 ( -5 0 -1) 530 ( -5 0 1) 531 ( 5 0
-1)
532 ( -1 0 -5) 533 ( 1 0 5) 534 ( 1 0 -5) 535 ( -1 0
5)
536 ( 0 1 5) 537 ( 0 -1 -5) 538 ( 0 1 -5) 539 ( 0 -1
5)
29 587 540 ( -4 -3 -1) 541 ( 4 3 1) 542 ( 4 -3 1) 543 ( -4 3
-1)
544 ( 4 3 -1) 545 ( -4 -3 1) 546 ( -4 3 1) 547 ( 4 -3
-1)
548 ( 3 4 1) 549 ( -3 -4 -1) 550 ( -3 4 -1) 551 ( 3 -4
1)
552 ( -3 -4 1) 553 ( 3 4 -1) 554 ( 3 -4 -1) 555 ( -3 4
1)
556 ( -1 -4 -3) 557 ( 1 4 3) 558 ( 1 -4 3) 559 ( -1 4
-3)
560 ( 1 4 -3) 561 ( -1 -4 3) 562 ( -1 4 3) 563 ( 1 -4
-3)
564 ( 4 1 3) 565 ( -4 -1 -3) 566 ( -4 1 -3) 567 ( 4 -1
3)
568 ( -4 -1 3) 569 ( 4 1 -3) 570 ( 4 -1 -3) 571 ( -4 1
3)
572 ( -3 -1 -4) 573 ( 3 1 4) 574 ( 3 -1 4) 575 ( -3 1
-4)
576 ( 3 1 -4) 577 ( -3 -1 4) 578 ( -3 1 4) 579 ( 3 -1
-4)
580 ( 1 3 4) 581 ( -1 -3 -4) 582 ( -1 3 -4) 583 ( 1 -3
4)
584 ( -1 -3 4) 585 ( 1 3 -4) 586 ( 1 -3 -4) 587 ( -1 3
4)
30 611 588 ( -5 -1 -1) 589 ( 5 1 1) 590 ( 5 -1 1) 591 ( -5 1
-1)
592 ( 5 1 -1) 593 ( -5 -1 1) 594 ( -5 1 1) 595 ( 5 -1
-1)
596 ( 1 5 1) 597 ( -1 -5 -1) 598 ( -1 5 -1) 599 ( 1 -5
1)
600 ( -1 -5 1) 601 ( 1 5 -1) 602 ( 1 -5 -1) 603 ( -1 5
1)
604 ( -1 -1 -5) 605 ( 1 1 5) 606 ( 1 -1 5) 607 ( -1 1
-5)
608 ( 1 1 -5) 609 ( -1 -1 5) 610 ( -1 1 5) 611 ( 1 -1
-5)
31 619 612 ( -3 -3 -3) 613 ( 3 3 3) 614 ( 3 -3 3) 615 ( -3 3
-3)
616 ( 3 3 -3) 617 ( -3 -3 3) 618 ( -3 3 3) 619 ( 3 -3
-3)
32 643 620 ( -5 -2 0) 621 ( 5 2 0) 622 ( 5 -2 0) 623 ( -5 2
0)
624 ( 2 5 0) 625 ( -2 -5 0) 626 ( -2 5 0) 627 ( 2 -5
0)
628 ( 0 -5 -2) 629 ( 0 5 2) 630 ( 0 -5 2) 631 ( 0 5
-2)
632 ( 5 0 2) 633 ( -5 0 -2) 634 ( -5 0 2) 635 ( 5 0
-2)
636 ( -2 0 -5) 637 ( 2 0 5) 638 ( 2 0 -5) 639 ( -2 0
5)
640 ( 0 2 5) 641 ( 0 -2 -5) 642 ( 0 2 -5) 643 ( 0 -2
5)
33 691 644 ( -4 -3 -2) 645 ( 4 3 2) 646 ( 4 -3 2) 647 ( -4 3
-2)
648 ( 4 3 -2) 649 ( -4 -3 2) 650 ( -4 3 2) 651 ( 4 -3
-2)
652 ( 3 4 2) 653 ( -3 -4 -2) 654 ( -3 4 -2) 655 ( 3 -4
2)
656 ( -3 -4 2) 657 ( 3 4 -2) 658 ( 3 -4 -2) 659 ( -3 4
2)
660 ( -2 -4 -3) 661 ( 2 4 3) 662 ( 2 -4 3) 663 ( -2 4
-3)
664 ( 2 4 -3) 665 ( -2 -4 3) 666 ( -2 4 3) 667 ( 2 -4
-3)
668 ( 4 2 3) 669 ( -4 -2 -3) 670 ( -4 2 -3) 671 ( 4 -2
3)
672 ( -4 -2 3) 673 ( 4 2 -3) 674 ( 4 -2 -3) 675 ( -4 2
3)
676 ( -3 -2 -4) 677 ( 3 2 4) 678 ( 3 -2 4) 679 ( -3 2
-4)
680 ( 3 2 -4) 681 ( -3 -2 4) 682 ( -3 2 4) 683 ( 3 -2
-4)
684 ( 2 3 4) 685 ( -2 -3 -4) 686 ( -2 3 -4) 687 ( 2 -3
4)
688 ( -2 -3 4) 689 ( 2 3 -4) 690 ( 2 -3 -4) 691 ( -2 3
4)
34 739 692 ( -5 -2 -1) 693 ( 5 2 1) 694 ( 5 -2 1) 695 ( -5 2
-1)
696 ( 5 2 -1) 697 ( -5 -2 1) 698 ( -5 2 1) 699 ( 5 -2
-1)
700 ( 2 5 1) 701 ( -2 -5 -1) 702 ( -2 5 -1) 703 ( 2 -5
1)
704 ( -2 -5 1) 705 ( 2 5 -1) 706 ( 2 -5 -1) 707 ( -2 5
1)
708 ( -1 -5 -2) 709 ( 1 5 2) 710 ( 1 -5 2) 711 ( -1 5
-2)
712 ( 1 5 -2) 713 ( -1 -5 2) 714 ( -1 5 2) 715 ( 1 -5
-2)
716 ( 5 1 2) 717 ( -5 -1 -2) 718 ( -5 1 -2) 719 ( 5 -1
2)
720 ( -5 -1 2) 721 ( 5 1 -2) 722 ( 5 -1 -2) 723 ( -5 1
2)
724 ( -2 -1 -5) 725 ( 2 1 5) 726 ( 2 -1 5) 727 ( -2 1
-5)
728 ( 2 1 -5) 729 ( -2 -1 5) 730 ( -2 1 5) 731 ( 2 -1
-5)
732 ( 1 2 5) 733 ( -1 -2 -5) 734 ( -1 2 -5) 735 ( 1 -2
5)
736 ( -1 -2 5) 737 ( 1 2 -5) 738 ( 1 -2 -5) 739 ( -1 2
5)
35 751
36 775
37 799
38 823
39 847
40 895
41 901
42 925
43 949
44 973
45 1021
46 1045
47 1069
48 1117
49 1141
50 1189
51 1213
52 1237
53 1261
54 1309
55 1357
56 1365
57 1371
58 1419
59 1443
60 1455
61 1503
62 1527
63 1551
64 1575
65 1599
66 1647
67 1695
68 1719
69 1743
70 1791
71 1815
72 1839
73 1863
74 1911
75 1935
76 1959
77 2007
78 2055
79 2103
80 2109
81 2133
82 2157
83 2205
84 2229
85 2277
86 2301
87 2325
88 2349
89 2373
90 2421
91 2469
92 2517
93 2529
94 2553
95 2577
96 2601
97 2625
98 2673
99 2721
100 2769
rdkss : prtvol=0, stop printing more G-vector information
vkbsign: 0.0 1.0 -1.0 -1.0 0.0 1.0 1.0 0.0
k eigenvalues [eV]
1 -14.91 -4.50 -4.50 -4.50 -3.61 -3.61 -1.50 0.69 0.69
0.69
2.82 2.82 2.82 3.84 4.39 4.39 4.39 4.94 4.94
9.10
9.10 9.10 10.58 10.58 10.58 12.05 12.05 12.05 13.92
18.71
18.71 19.34 21.65 21.65 21.65 23.19 24.07 24.07 24.07
26.32
26.32 27.73 29.03 29.03 29.03 33.21 33.21 33.21 33.43
33.43
33.43 33.89 33.89 33.89 34.72 34.72 35.20 35.20 35.20
35.54
36.82 36.82 36.82 38.53 38.53 38.53 41.23 41.35 41.35
43.18
43.18 43.18 43.23 43.23 43.96 43.96 43.96 47.37 50.69
51.19
51.19 51.19 51.59 51.59 51.59 53.57 53.57 53.57 58.84
58.84
59.02 59.02 59.02 61.22 61.22 61.22 61.32 61.32 61.32
61.95
67.13 67.13 67.13 67.70 67.70 68.25 68.25 68.25 68.63
69.57
69.57 69.57 69.79 69.79 70.18 70.18 70.18 70.30 70.30
70.30
70.39 70.39 74.48 74.48 74.48 74.59 74.59 74.59 74.94
75.49
75.49 75.49 77.55 77.55 77.55 77.86 77.86 78.12 78.12
78.12
78.14 78.14 78.14 79.02 79.11 79.11 82.56 82.56 82.56
82.68
83.10 83.10 83.10 83.22 86.24 86.24 86.24 86.47 86.47
86.58
88.09 88.09 88.09 88.66 88.66 88.87 88.87 88.87 90.25
90.25
90.25 92.50 96.52 96.52 96.52 96.82 96.82 96.82 97.69
97.98
97.98 97.98 101.44 101.44 103.28 103.28 103.28 103.49 103.49
103.49
104.13 104.13 104.13 104.13 104.13 104.13 104.79 104.79 104.82
105.33
2 -14.76 -5.84 -4.65 -4.65 -3.44 -2.64 -0.43 0.72 0.72
0.79
1.95 3.19 3.19 3.67 4.18 4.18 4.18 5.49 5.54
7.79
7.79 7.94 10.50 12.13 12.13 12.63 12.72 12.72 14.58
17.59
18.92 19.78 20.06 20.85 20.85 21.88 24.06 24.06 25.44
26.22
27.40 27.84 27.84 29.23 29.81 30.83 31.14 31.14 31.99
32.95
33.10 33.10 33.86 33.86 34.07 35.10 36.09 36.10 36.27
36.27
36.69 38.47 38.91 38.91 39.81 39.81 40.98 41.03 41.57
41.73
43.35 43.35 44.83 44.83 45.43 46.72 46.92 47.23 49.27
50.39
50.78 50.78 51.73 51.73 52.66 54.06 54.06 54.75 56.10
56.42
56.59 56.59 59.10 60.15 60.87 60.87 61.18 63.50 63.50
64.08
64.14 65.08 65.08 66.43 66.62 66.65 66.65 66.87 67.35
67.63
67.63 67.98 68.73 69.17 69.19 69.19 70.11 71.15 71.15
72.17
72.72 74.03 74.07 74.56 74.56 74.83 75.32 75.32 75.41
75.70
76.35 76.35 76.44 77.22 77.24 77.24 77.34 78.25 78.79
79.04
79.04 79.83 79.83 79.91 80.11 80.67 81.78 82.09 82.56
82.56
82.77 84.47 84.84 84.84 85.12 85.71 85.71 85.79 87.33
87.50
87.99 87.99 89.39 90.12 90.12 90.12 90.68 90.87 92.17
92.17
92.60 93.53 94.07 94.07 95.15 95.98 95.98 96.70 96.92
97.41
97.89 97.90 97.90 98.86 100.99 101.00 101.00 101.62 101.62
102.48
103.46 103.67 103.67 104.07 104.22 104.47 104.47 104.86 105.02
105.13
3 -14.43 -7.29 -4.94 -4.94 -3.00 -0.88 0.67 1.04 1.04
1.11
1.11 3.06 3.06 3.30 3.63 4.11 4.11 5.64 6.04
6.91
6.91 7.58 10.37 13.09 13.09 13.92 14.15 14.80 15.10
15.10
19.50 19.50 19.61 19.74 20.71 22.11 23.66 23.66 24.62
24.62
25.26 25.94 26.06 28.96 29.86 30.27 31.17 31.17 32.35
32.51
32.51 32.86 33.93 33.93 34.50 34.64 35.57 35.57 36.38
36.44
37.44 37.87 39.17 40.80 40.80 41.70 42.16 43.41 43.41
44.73
45.17 45.17 46.99 46.99 47.28 47.37 48.71 48.81 48.81
49.01
50.32 50.64 51.77 51.77 52.65 54.19 54.56 54.56 55.21
56.05
56.78 56.78 58.40 59.05 59.15 59.15 59.27 60.38 60.38
60.99
61.37 61.37 61.76 63.75 63.89 63.89 64.25 65.46 66.24
67.12
68.12 68.12 68.30 69.80 69.88 69.88 70.25 71.37 71.97
71.97
72.69 73.53 73.54 74.05 74.34 74.34 75.46 76.12 76.35
76.35
76.84 76.84 77.00 79.23 79.23 79.35 79.62 79.62 79.82
79.88
82.14 82.14 82.42 82.52 82.70 82.87 82.95 83.13 83.13
83.67
83.83 83.95 84.78 85.34 85.34 86.15 86.18 87.02 87.02
87.14
87.14 87.70 89.28 90.36 90.80 90.92 90.92 92.37 92.81
92.81
93.30 93.30 93.30 94.25 94.37 94.50 94.50 94.60 96.90
96.90
97.13 97.38 97.41 97.41 97.57 97.92 99.55 100.34 101.12
101.12
101.56 102.45 102.58 102.64 103.45 103.45 103.68 104.05 104.05
104.67
4 -14.25 -7.87 -5.07 -5.07 -2.69 0.03 0.87 1.20 1.25
1.91
1.91 2.06 2.06 3.09 3.18 4.26 4.31 4.31 6.20
6.74
6.74 10.31 10.61 10.83 13.86 13.86 13.95 14.64 15.84
15.84
20.42 20.42 20.63 20.82 20.82 21.23 21.59 22.00 23.33
24.23
24.30 24.30 25.92 28.20 30.65 31.00 31.08 31.08 32.16
32.35
32.35 32.63 33.58 34.44 34.44 34.80 34.92 34.92 36.31
38.03
38.39 38.63 38.65 42.07 42.55 42.55 42.63 42.90 42.90
44.38
45.83 46.59 46.59 47.52 47.65 48.49 48.49 50.60 50.60
50.63
51.82 51.82 52.50 52.73 53.34 53.34 54.30 54.30 54.57
54.67
54.67 55.28 57.28 58.26 58.50 58.50 59.26 59.46 59.46
59.89
60.26 60.26 61.64 61.98 62.53 63.00 63.00 63.86 65.52
66.39
67.05 68.09 68.09 68.23 68.29 68.29 70.21 70.92 71.82
73.04
74.15 74.15 74.49 74.49 75.51 75.58 76.38 76.38 77.81
78.11
78.35 78.35 78.35 78.81 79.71 80.05 80.05 80.50 80.83
80.83
81.64 81.64 81.69 82.19 82.23 82.23 82.62 83.14 83.16
83.26
85.16 86.09 87.48 87.50 87.50 87.67 87.67 87.75 88.15
88.15
88.31 88.77 88.77 88.82 88.86 89.60 89.61 90.32 90.32
90.92
90.92 91.83 91.92 92.05 92.76 93.83 93.83 95.72 96.35
96.44
97.73 97.83 98.14 98.33 98.39 98.39 99.13 99.90 99.90
100.61
100.61 101.49 101.60 102.78 103.90 103.90 104.08 104.08 104.99
105.17
5 -14.64 -6.02 -5.43 -4.70 -2.93 -2.02 -0.70 -0.02 1.46
1.59
2.53 2.65 3.21 3.44 3.47 4.25 4.42 5.73 5.94
6.62
7.42 8.50 10.78 12.14 12.49 12.84 12.89 13.37 15.34
17.31
18.64 19.56 20.00 20.02 20.58 21.23 23.86 24.10 25.35
26.36
27.39 27.52 27.68 27.98 30.32 30.40 30.69 30.96 31.40
31.87
32.24 32.51 33.39 33.64 34.01 34.58 36.75 36.80 37.31
37.79
37.81 38.16 38.80 39.60 40.08 40.88 41.17 41.91 42.68
43.47
43.87 44.15 44.30 45.25 45.74 46.21 47.84 48.67 49.42
49.51
50.47 50.85 52.10 52.31 52.84 54.02 54.21 54.44 55.98
56.14
56.22 56.41 56.77 59.39 59.90 60.23 61.62 61.89 62.97
63.69
63.79 63.82 64.92 65.13 65.50 66.43 66.52 66.62 67.40
67.46
67.78 68.20 68.80 69.18 69.75 70.13 70.19 70.32 70.55
70.81
71.91 72.67 73.02 73.06 73.72 74.41 74.76 75.25 75.32
75.73
75.75 76.53 76.73 76.89 77.96 78.04 78.44 78.48 79.21
79.95
80.46 80.83 81.19 81.41 81.54 81.55 82.10 82.68 83.33
83.34
83.69 84.12 84.51 84.70 85.78 86.12 86.38 87.00 87.65
88.51
88.82 88.92 89.23 90.15 90.17 90.38 90.47 92.13 92.52
92.86
93.24 93.44 94.21 94.53 95.35 95.97 96.08 96.54 97.45
97.73
97.81 98.06 98.25 98.53 98.66 98.83 99.10 99.94 100.02
100.66
101.17 101.21 101.49 101.99 102.39 102.63 103.93 104.20 104.35
104.58
6 -14.38 -7.08 -5.50 -4.82 -2.60 -0.73 -0.39 -0.17 1.44
1.47
2.12 2.92 2.99 3.78 3.86 4.15 4.22 5.49 6.16
7.15
7.15 7.66 10.71 12.51 13.54 13.59 14.16 14.58 14.89
15.52
18.88 19.22 19.29 20.57 21.49 21.55 22.49 23.74 23.90
24.61
25.40 26.50 27.10 27.74 27.94 29.90 30.27 31.15 31.72
31.90
32.64 32.79 32.91 33.58 34.39 35.65 36.15 36.92 37.55
38.04
38.36 38.57 39.98 40.73 41.49 41.61 43.32 43.65 43.72
44.14
44.92 45.37 46.02 46.50 47.75 48.00 48.37 49.17 49.59
49.66
50.51 50.90 51.47 52.08 53.18 54.15 54.35 54.48 54.96
55.25
55.45 56.77 57.57 58.18 58.19 58.53 58.82 59.70 60.78
61.14
62.53 62.88 63.55 63.73 63.87 63.96 65.82 65.91 66.32
66.37
66.84 67.10 68.10 68.32 69.00 69.58 69.62 69.88 71.42
71.61
72.54 72.72 73.22 73.33 73.91 74.19 74.58 75.15 75.76
76.09
76.16 76.62 77.35 77.85 78.17 78.76 79.67 79.74 80.47
80.65
81.56 81.76 81.87 82.26 82.64 82.94 83.37 83.54 84.07
84.94
85.22 85.23 85.44 85.99 86.29 87.48 87.50 87.73 88.08
88.12
88.84 89.17 89.73 89.88 90.71 91.70 92.02 92.57 92.74
92.95
92.99 93.26 93.92 94.01 94.10 94.21 95.01 95.19 95.76
95.85
96.08 96.42 97.58 97.81 98.41 98.60 99.23 99.75 100.11
100.23
101.34 101.61 101.68 101.92 102.18 102.56 102.67 102.99 103.53
103.94
7 -14.24 -7.56 -5.51 -4.89 -2.50 -0.12 0.11 0.48 0.83
1.01
2.07 2.41 3.19 3.81 4.17 4.24 4.32 4.78 6.25
6.73
7.13 9.96 10.59 10.85 13.33 13.64 14.43 14.88 15.38
15.91
19.18 20.17 20.17 20.58 20.67 21.51 22.36 22.43 22.82
24.41
24.48 24.89 26.96 27.05 27.85 30.14 30.46 31.32 31.37
31.53
31.72 32.85 33.75 33.97 34.06 35.50 36.64 37.60 37.95
38.70
38.89 39.44 39.80 39.88 42.42 42.66 42.81 43.60 44.17
44.92
45.25 46.00 46.92 47.70 47.74 48.93 49.14 49.99 50.39
50.60
50.85 51.66 51.88 52.39 53.21 53.99 54.27 54.35 54.57
55.01
55.06 55.26 56.22 56.41 57.59 58.23 58.79 58.98 59.98
60.46
60.49 62.16 62.96 63.34 63.62 64.08 64.20 64.32 64.84
65.76
66.49 66.51 67.08 68.26 69.11 69.37 69.40 69.85 71.18
71.58
72.46 72.80 73.55 73.65 74.55 75.26 75.29 75.38 75.68
76.45
77.24 77.39 78.54 78.80 79.12 79.44 79.45 80.22 80.98
81.39
81.56 81.77 82.11 82.12 82.35 83.33 83.55 84.31 84.72
85.18
85.40 85.78 86.55 86.59 86.92 87.29 87.66 88.21 88.35
88.51
88.72 89.28 89.57 89.79 90.05 90.65 90.70 90.87 91.26
91.47
92.06 93.72 94.26 94.30 94.58 94.69 95.28 95.78 95.96
96.15
96.16 96.33 96.65 97.43 97.84 98.61 98.63 98.84 99.25
99.94
100.30 100.98 102.36 102.41 102.42 102.87 102.99 103.53 104.76
104.94
8 -14.28 -6.78 -6.14 -4.57 -2.54 -1.09 -0.89 0.24 0.31
1.23
3.06 3.07 3.89 4.11 4.13 4.39 4.69 5.00 6.48
6.98
7.87 7.97 11.11 11.99 13.31 13.37 13.92 14.37 15.29
16.46
17.52 18.63 18.88 20.70 21.45 21.99 22.66 23.68 24.04
24.06
24.97 25.40 25.96 27.20 27.96 28.12 29.33 30.42 30.84
31.06
31.73 32.55 34.03 34.31 34.55 35.49 37.30 37.48 37.91
39.71
40.34 40.73 41.01 41.60 41.69 42.98 43.48 44.59 44.99
45.17
45.57 45.94 46.29 47.17 47.69 47.79 49.14 49.34 49.37
49.63
50.61 50.66 51.99 52.10 52.15 53.23 53.34 53.43 54.49
54.65
54.76 56.43 57.65 57.87 58.60 58.76 59.02 60.00 60.21
60.54
61.95 62.21 63.20 63.48 63.54 63.94 64.52 64.58 65.08
65.52
67.42 67.54 68.24 68.48 69.12 69.26 69.43 69.83 70.91
71.57
71.81 72.25 72.76 73.11 73.34 73.56 73.74 74.01 74.30
74.73
75.27 75.50 76.71 76.84 77.44 77.56 77.91 79.36 80.14
80.21
81.50 81.55 81.61 83.77 84.02 84.13 84.19 84.76 85.12
85.46
85.62 86.06 86.43 86.60 86.84 87.49 87.87 88.13 89.14
89.49
90.01 90.14 90.17 91.25 91.59 91.94 92.01 92.07 92.89
93.21
93.37 93.60 94.49 94.62 94.63 94.92 95.06 95.25 95.25
95.78
97.73 98.19 98.24 98.26 98.75 98.77 99.20 99.80 99.97
100.50
101.21 101.44 101.60 102.40 102.52 103.26 103.26 104.00 104.37
104.61
9 -14.22 -6.85 -6.13 -4.43 -2.80 -1.15 -0.87 -0.56 0.75
2.10
2.77 2.87 3.89 4.10 4.34 4.39 4.53 5.76 6.46
6.64
8.45 9.20 10.83 11.06 12.72 12.92 13.42 15.76 16.01
16.24
17.23 19.01 19.86 20.02 20.34 21.42 22.27 22.85 23.42
24.33
25.02 26.25 26.57 26.83 27.08 28.57 29.50 29.71 30.45
30.72
30.72 32.56 32.56 34.60 35.22 35.56 37.38 37.96 38.91
40.14
40.35 41.72 41.74 42.85 43.25 43.49 44.10 44.90 45.41
45.62
45.72 45.98 46.13 46.94 47.29 47.79 49.05 49.41 49.44
49.86
50.48 51.20 51.33 51.56 52.87 52.94 53.05 53.28 54.23
55.32
56.07 56.42 56.50 57.06 57.59 58.22 58.89 59.18 60.21
60.34
60.39 61.50 62.45 62.78 63.40 63.87 64.71 65.59 65.97
66.32
67.30 67.34 68.02 68.25 68.64 68.88 69.29 69.60 71.05
71.45
71.65 71.85 72.40 72.61 72.84 72.89 73.43 73.67 74.22
74.67
75.25 76.12 76.64 76.72 78.55 78.94 79.19 79.54 79.77
79.94
80.38 80.69 80.99 82.13 82.58 83.07 84.19 85.02 85.09
85.43
85.51 85.54 85.93 86.50 87.15 87.73 88.55 88.82 88.82
89.24
90.00 90.45 91.30 91.37 91.53 91.99 92.11 92.62 93.51
93.61
94.21 94.28 94.41 94.63 95.33 95.53 95.85 95.97 96.97
97.01
97.06 97.47 97.83 98.96 99.08 99.75 100.57 100.61 101.54
101.91
102.08 102.17 103.08 103.31 104.07 104.73 104.77 104.99 105.27
105.60
10 -14.22 -6.37 -6.37 -4.11 -3.33 -1.55 -1.22 -1.22 2.25
2.25
2.79 3.33 3.67 3.67 4.33 4.38 4.56 6.36 6.56
6.56
9.94 10.12 10.78 10.78 11.26 11.26 14.11 16.00 16.00
16.26
18.41 18.42 19.97 19.97 20.06 20.75 20.98 22.26 22.26
25.19
25.37 26.59 27.08 28.05 28.54 28.54 29.02 29.02 29.84
30.07
30.07 32.15 32.15 32.18 35.10 35.10 36.20 40.10 41.66
42.41
42.91 42.91 43.62 43.75 43.98 44.28 44.29 44.29 44.53
44.66
44.66 45.31 46.07 46.96 46.96 47.36 47.36 49.68 50.03
50.19
50.21 50.21 50.98 52.60 52.77 53.33 53.34 53.34 53.77
54.43
55.45 56.14 57.04 57.04 57.61 57.61 57.73 57.73 59.52
59.75
62.07 63.70 63.70 63.74 64.20 64.20 64.59 65.16 65.16
65.69
66.61 66.75 67.16 68.24 68.28 68.62 68.62 69.70 70.88
71.22
71.22 71.62 71.62 73.36 74.27 74.27 74.49 74.57 74.80
74.80
74.86 74.86 75.47 76.23 76.34 77.32 78.56 79.27 79.28
79.30
79.85 79.85 80.54 80.54 82.29 82.55 82.55 83.88 84.71
84.71
85.08 85.82 85.82 85.97 86.16 88.14 88.65 88.65 89.04
89.11
89.58 89.58 91.55 92.71 92.83 93.15 93.15 94.43 94.43
94.54
94.63 95.27 95.63 95.63 96.75 97.15 99.05 99.42 99.42
99.77
99.82 100.13 100.13 100.36 100.46 100.46 101.13 101.70 101.73
101.73
101.74 102.24 102.29 102.29 102.40 103.00 104.66 104.66 105.07
105.49
11 -14.54 -5.91 -5.53 -5.53 -2.14 -2.14 -0.06 0.29 0.29
1.62
2.89 2.89 3.12 3.37 3.95 4.27 4.27 6.05 6.05
6.55
7.43 7.43 12.14 12.27 12.32 12.32 13.68 13.68 15.20
17.80
17.80 19.37 19.86 19.86 20.75 21.14 23.22 23.22 25.75
26.62
26.62 26.85 27.06 28.26 28.26 30.36 30.36 31.31 31.61
31.61
31.62 32.94 32.94 33.88 35.45 35.45 36.99 36.99 37.07
37.13
38.61 38.61 39.03 39.03 39.09 42.84 42.84 43.39 43.82
43.88
43.94 43.94 44.62 46.13 46.13 46.67 47.79 47.79 49.10
50.17
50.17 50.83 52.10 52.10 52.74 53.60 53.71 53.71 55.80
55.80
56.86 58.87 58.87 59.98 59.98 60.11 60.32 60.32 61.19
62.26
62.26 62.93 63.99 64.43 64.43 65.29 65.96 66.75 66.75
66.81
66.81 67.99 67.99 68.51 70.39 70.39 70.41 70.83 72.11
72.11
72.24 72.26 72.26 72.94 73.00 73.00 74.66 74.88 74.88
75.00
75.65 75.65 77.16 77.16 77.18 77.74 78.57 78.57 80.29
80.29
80.32 80.64 81.86 82.04 82.04 83.10 83.10 83.65 83.99
83.99
84.44 84.52 85.80 85.80 86.56 86.56 87.60 87.75 87.75
89.54
89.65 89.65 90.35 90.35 90.46 90.49 91.03 91.03 92.08
92.08
92.21 92.55 92.84 93.91 93.91 94.84 94.89 94.89 97.09
97.64
97.64 97.77 98.20 98.20 99.68 100.30 100.54 100.54 101.17
101.17
101.47 101.47 101.93 102.68 102.68 102.91 103.48 103.48 103.82
103.82
12 -14.32 -6.88 -5.76 -5.23 -2.19 -1.12 -0.43 0.37 0.98
1.42
2.18 3.30 3.47 3.72 4.02 4.22 4.42 5.62 6.12
6.56
7.45 7.67 11.48 12.45 12.68 13.60 13.96 14.80 15.16
15.62
18.67 19.14 19.87 20.31 20.92 21.94 22.44 22.75 23.22
24.28
25.96 26.11 26.77 27.46 27.57 28.05 30.60 30.64 31.49
32.25
32.82 33.00 34.12 34.46 35.42 36.42 36.48 36.81 37.31
37.74
37.81 38.94 39.13 41.03 42.14 42.78 43.21 43.76 44.79
44.83
45.14 45.32 46.06 46.38 47.50 47.90 48.51 49.44 49.52
49.82
50.60 50.68 51.05 52.35 52.89 53.13 53.83 55.23 55.54
55.63
56.81 57.50 57.79 58.15 58.31 58.85 59.54 60.03 60.27
60.69
61.77 62.55 63.39 63.50 63.76 64.19 65.00 65.01 65.33
66.01
66.44 67.05 67.05 67.23 67.61 68.65 68.87 70.11 70.71
70.79
71.66 72.17 73.39 73.89 74.12 74.18 74.57 75.05 76.14
76.20
76.52 77.09 77.38 78.23 78.35 78.40 78.94 79.11 79.95
80.71
81.19 81.64 81.75 82.42 82.67 83.24 83.57 83.83 84.21
84.67
84.78 85.37 85.48 86.46 87.33 87.61 88.02 88.51 88.95
89.25
89.62 90.43 90.52 90.62 90.71 91.07 91.21 91.42 91.78
92.29
92.96 93.22 93.53 93.86 93.86 94.50 94.54 95.62 95.73
96.30
96.59 96.89 97.19 97.94 99.05 99.39 99.54 100.45 100.67
100.75
101.15 101.47 101.66 102.39 102.79 103.45 103.96 104.86 105.19
105.19
13 -14.21 -7.34 -5.88 -4.95 -2.15 -1.11 -0.79 1.42 1.51
1.74
2.16 2.49 3.06 3.30 4.18 4.23 4.91 4.91 6.18
6.34
8.07 9.42 10.91 11.37 13.29 13.36 13.38 13.77 16.92
16.95
18.88 19.10 19.76 20.36 20.98 21.07 21.35 23.10 23.26
24.07
24.65 25.27 26.22 26.45 27.24 27.88 30.67 31.55 31.56
32.14
32.37 33.58 33.74 34.29 35.18 35.96 36.62 37.88 37.96
37.99
39.43 39.83 39.83 40.09 41.46 42.42 42.83 44.45 44.56
45.67
46.03 46.14 47.20 47.42 47.73 48.65 49.28 49.79 49.86
50.33
50.75 51.81 51.97 52.15 52.97 53.35 54.00 54.52 54.74
54.91
56.02 56.16 56.52 57.11 57.73 58.73 59.60 59.81 60.41
60.88
61.33 61.43 62.16 62.54 63.23 63.45 63.98 64.50 65.35
65.65
65.93 66.46 66.62 66.99 67.41 67.96 68.37 69.79 70.94
71.83
71.98 72.35 72.67 72.82 74.41 74.50 75.44 75.70 75.70
75.99
76.16 77.61 78.23 78.86 79.37 79.56 79.62 79.77 80.48
81.12
81.56 81.93 82.02 82.16 82.53 83.55 84.02 84.06 84.31
84.51
84.93 85.24 85.60 86.10 86.29 86.38 87.62 88.04 89.03
89.12
89.57 89.94 90.21 90.46 91.12 91.59 91.61 91.76 91.85
92.33
92.53 93.34 93.81 93.84 94.25 94.40 95.42 95.94 96.21
96.34
97.00 97.73 97.78 98.05 98.26 98.27 98.74 99.23 100.43
101.81
101.85 102.70 103.06 103.41 103.47 103.48 104.03 104.78 104.88
104.90
14 -14.20 -6.69 -6.36 -5.36 -2.07 -0.94 -0.93 0.34 0.83
2.25
2.88 3.27 3.56 3.98 4.14 4.25 4.76 5.28 6.22
6.66
7.81 7.83 11.96 12.16 12.46 13.65 13.68 14.46 15.55
16.37
16.83 19.63 20.18 20.49 21.06 21.44 21.46 22.60 22.85
23.68
24.98 25.03 26.49 26.59 27.41 28.23 28.93 30.70 31.30
32.09
32.87 33.57 34.79 35.32 35.74 36.24 36.77 37.00 37.77
37.79
38.94 39.41 41.24 41.43 43.02 43.15 44.16 44.42 44.57
44.84
45.44 46.21 46.40 46.71 47.20 47.66 48.27 49.46 49.94
50.69
50.81 51.23 51.88 52.48 53.42 54.54 54.82 54.96 54.98
55.27
55.88 56.80 57.27 57.64 57.91 58.33 58.82 59.66 59.96
60.89
61.38 62.13 63.24 63.34 63.63 63.82 64.51 64.72 65.09
65.49
65.71 66.17 66.30 67.16 67.20 68.15 68.68 68.97 69.25
69.86
71.21 71.54 72.37 73.38 73.43 73.76 74.61 74.80 75.51
75.85
76.20 76.43 76.90 76.90 77.98 78.43 78.65 79.75 79.86
81.17
81.45 81.75 82.17 82.76 82.80 83.03 83.40 83.96 84.27
84.41
84.82 84.88 85.93 86.16 86.41 86.85 87.30 87.61 88.39
89.04
89.42 90.57 90.74 91.53 92.23 92.35 92.60 92.84 92.89
93.10
93.21 93.51 94.20 94.79 94.85 95.01 96.51 96.52 97.16
97.89
97.99 99.19 99.41 99.57 99.59 100.05 100.40 101.15 101.30
101.35
101.74 102.24 102.75 103.09 103.72 103.96 104.67 105.03 105.25
105.57
15 -14.14 -6.89 -6.44 -5.19 -2.36 -1.10 -1.01 0.76 1.43
2.37
2.88 3.02 3.81 3.99 4.08 4.26 4.55 5.49 5.77
6.65
8.53 9.09 10.92 11.86 12.42 12.89 13.57 14.74 16.43
16.60
17.25 19.41 19.82 20.14 20.42 21.02 21.10 22.56 22.59
24.15
24.97 25.09 25.81 26.96 27.12 27.59 28.68 30.68 31.59
31.82
32.05 33.81 34.65 35.22 35.27 36.81 36.89 37.43 37.65
38.08
39.95 40.84 41.35 41.92 43.25 43.35 43.72 44.43 44.67
45.46
46.01 46.18 47.00 47.20 48.20 48.23 48.52 49.63 49.72
50.66
50.85 51.54 51.97 52.13 52.49 53.43 53.84 54.60 56.07
56.09
56.46 56.65 57.46 57.56 58.22 58.57 58.92 58.92 59.46
59.71
60.61 60.80 61.65 63.21 63.84 64.02 64.60 64.78 64.87
65.38
65.50 65.57 66.87 67.19 67.27 68.39 68.58 69.18 69.60
70.20
71.45 71.52 71.97 72.16 73.82 73.99 74.13 74.35 74.88
75.22
75.56 76.83 77.12 77.28 77.42 78.00 78.12 79.75 79.86
80.10
80.95 81.15 81.49 81.76 82.03 82.68 82.97 83.48 84.47
84.51
84.99 85.59 86.07 86.48 86.50 87.06 87.65 87.74 87.83
89.00
89.80 90.36 90.84 91.07 91.87 92.03 92.29 93.21 93.57
94.24
94.66 94.75 95.57 95.97 96.23 96.93 97.24 97.71 98.07
98.63
99.18 99.77 100.08 100.19 100.50 101.26 101.39 101.89 101.98
102.34
102.67 102.84 102.87 103.28 103.76 104.15 104.23 104.63 104.72
105.67
16 -14.11 -6.66 -6.66 -5.36 -2.67 -0.81 -0.81 -0.04 2.46
2.46
2.84 3.38 3.75 3.75 4.27 4.30 4.46 5.80 5.80
6.77
8.58 10.29 10.87 10.87 11.94 11.94 15.02 15.78 16.13
16.13
16.67 18.39 19.41 19.41 20.63 20.72 21.48 22.32 23.55
23.55
24.94 24.94 25.27 27.13 28.14 28.14 29.00 30.11 30.98
30.98
31.70 32.52 34.71 34.71 35.82 36.69 36.69 36.80 39.08
40.09
40.09 40.74 42.69 43.55 43.55 43.63 44.76 44.76 44.83
45.21
45.32 46.71 46.71 47.01 48.15 48.51 49.41 49.41 49.53
49.76
51.56 51.71 51.97 51.97 52.16 52.74 52.74 53.83 54.56
56.89
56.89 57.15 57.62 57.81 57.81 57.91 58.46 59.06 59.06
61.13
61.73 62.31 62.55 62.55 63.07 64.28 64.67 64.67 64.83
65.44
65.44 65.65 65.65 65.85 66.44 66.57 68.32 68.32 71.33
72.16
72.74 72.80 72.80 72.86 72.86 73.21 74.15 74.15 74.66
74.66
74.88 74.96 76.30 76.30 76.33 77.30 78.35 78.68 79.83
79.87
79.87 80.45 80.45 80.77 81.33 81.33 81.35 81.89 83.52
83.52
84.31 84.92 86.04 86.04 86.28 86.39 87.93 89.19 89.19
89.99
90.77 90.77 91.63 93.74 93.91 94.03 94.03 95.52 95.64
95.64
95.72 96.15 96.15 96.83 98.09 98.09 98.24 98.31 98.80
99.88
99.90 99.90 100.40 100.79 100.89 100.89 101.28 101.40 102.25
102.33
102.33 102.76 102.76 102.86 104.08 104.55 104.55 104.60 104.91
105.65
17 -14.05 -6.76 -6.76 -6.20 -1.40 -0.82 -0.82 1.66 1.81
1.81
3.64 3.64 3.75 3.84 4.08 4.08 4.86 4.95 4.95
7.24
7.66 7.66 11.69 13.12 13.30 13.30 13.35 15.13 15.13
16.10
16.10 18.00 20.83 20.98 20.98 21.19 21.98 21.98 22.24
22.44
22.44 25.25 25.25 26.05 28.83 29.73 30.37 30.37 31.38
31.38
32.71 33.39 33.39 35.45 37.24 37.24 37.45 37.45 38.63
39.09
39.09 40.08 40.23 42.08 42.30 42.30 43.35 43.35 43.51
45.57
46.15 46.15 46.47 46.53 46.53 49.08 49.08 49.18 51.28
51.28
51.72 52.75 52.75 54.20 54.89 54.94 54.94 56.02 56.02
56.02
56.69 56.69 56.84 56.84 57.00 58.34 58.34 59.02 59.58
60.08
61.25 61.53 61.75 61.75 63.24 63.38 63.38 64.89 65.01
65.01
66.83 66.94 66.94 67.76 67.76 68.17 68.26 68.26 68.86
69.01
69.01 69.91 69.91 70.84 72.67 73.69 73.69 74.42 74.42
74.53
75.83 75.83 76.92 76.92 77.19 77.89 77.89 78.09 79.81
80.10
80.10 80.48 81.36 81.40 81.40 82.63 84.37 84.37 84.62
84.78
84.78 86.21 86.21 86.61 87.17 87.17 88.13 88.13 88.37
89.42
90.43 90.43 91.22 91.94 92.43 92.43 92.55 92.89 93.28
93.28
93.72 93.84 93.84 96.66 96.66 97.46 98.79 98.96 98.96
99.73
99.73 99.98 100.69 100.69 100.80 101.79 101.79 102.54 102.89
102.89
102.90 103.60 103.60 104.66 104.81 104.81 105.97 105.97 106.41
106.46
18 -13.97 -7.04 -6.95 -6.31 -1.28 -0.72 -0.46 2.23 2.24
2.55
3.35 3.38 3.60 3.65 4.07 4.09 4.54 4.57 4.98
7.12
7.59 9.18 11.01 12.75 13.11 13.53 13.84 14.14 15.18
16.76
16.92 17.65 18.82 19.99 20.22 20.96 21.80 22.49 22.72
22.76
22.87 25.96 26.38 26.46 26.63 28.69 30.49 30.74 31.24
31.67
32.70 33.12 35.31 35.55 35.67 36.10 37.41 37.42 38.38
38.95
40.68 40.97 41.06 41.25 41.38 42.72 43.94 44.81 44.85
45.71
46.26 46.49 47.27 47.40 47.43 47.60 49.01 49.54 50.02
50.50
51.17 52.39 52.62 53.15 54.13 54.51 55.14 56.25 56.27
56.73
56.91 57.56 57.59 57.76 57.83 58.01 58.53 59.13 59.65
60.74
61.03 61.43 61.53 62.43 62.57 62.80 63.40 63.98 64.80
65.83
66.12 66.25 66.52 67.25 67.44 67.68 67.85 68.31 68.51
70.51
70.63 70.65 70.93 72.10 72.12 72.46 72.89 73.32 73.67
74.27
74.28 74.74 75.23 75.30 76.47 76.68 76.99 77.94 78.13
78.19
79.05 79.76 80.68 81.37 82.35 82.58 83.55 84.30 84.34
85.36
85.96 86.57 86.76 86.87 87.69 87.91 87.95 88.25 90.16
90.98
91.12 91.57 91.86 92.05 92.09 92.72 93.20 93.74 94.37
94.72
94.99 95.17 95.18 97.27 97.34 97.60 98.07 98.16 98.26
98.58
99.17 100.44 101.46 101.82 101.93 102.04 102.39 102.89 102.91
103.55
104.16 104.34 104.89 104.94 105.20 105.78 106.14 106.41 106.66
107.19
19 -13.88 -7.14 -7.14 -6.79 -0.94 0.04 0.04 1.92 2.81
2.81
2.94 3.44 3.95 3.95 4.04 4.16 4.16 4.48 4.48
6.21
8.26 10.73 11.03 11.03 13.22 13.22 14.26 14.93 15.88
16.23
16.23 17.13 18.33 19.00 19.00 21.22 21.94 22.00 22.00
24.58
24.65 24.65 25.72 27.48 27.48 28.63 30.20 30.71 30.90
30.90
33.53 33.84 34.22 34.54 35.31 35.31 37.10 37.98 37.98
39.66
40.61 40.61 41.38 42.42 43.69 43.69 44.52 44.52 45.18
46.59
47.07 47.11 47.47 47.62 47.62 48.05 48.94 48.94 49.11
49.45
51.17 51.19 51.24 51.24 53.00 54.32 55.23 55.23 56.72
56.72
56.75 57.79 57.79 58.21 58.30 59.92 59.92 60.27 60.46
61.46
61.60 61.60 61.79 63.24 64.17 64.17 64.69 65.47 65.56
65.56
65.85 66.08 66.17 66.22 66.27 66.27 67.75 67.75 68.05
68.24
69.54 70.39 70.39 70.98 71.14 72.47 72.48 72.48 72.49
73.13
73.13 73.14 74.39 74.39 76.22 76.64 77.32 77.71 77.71
78.49
79.04 79.04 79.51 80.22 80.26 81.87 81.87 82.18 85.15
86.73
86.96 87.33 87.37 87.37 88.41 88.41 90.25 90.25 90.77
91.37
92.13 92.13 92.57 92.57 92.95 93.38 94.26 94.80 94.84
95.48
95.48 95.91 96.47 96.47 97.27 98.39 98.69 98.69 99.79
99.86
100.76 100.76 100.87 101.60 101.60 102.11 102.59 102.59 102.59
102.65
103.44 103.44 104.80 104.83 105.58 106.36 106.47 106.63 107.17
107.23
20 -13.74 -7.35 -7.35 -7.35 0.58 0.58 0.58 2.86 2.86
2.86
3.00 3.00 3.84 3.85 3.85 3.85 4.09 4.09 4.09
5.04
11.03 11.03 11.10 11.10 11.10 14.18 14.18 14.18 16.01
16.01
16.01 16.19 18.30 18.30 18.30 22.20 22.20 22.20 22.62
23.28
23.28 23.28 29.04 29.04 29.04 30.41 30.41 31.06 31.06
31.75
31.75 31.75 31.95 31.95 31.95 37.05 37.60 39.25 39.25
39.25
41.66 41.66 41.66 43.28 43.28 43.28 45.40 45.40 47.01
47.01
47.56 47.56 47.56 48.90 48.90 48.90 49.09 49.09 49.09
49.40
49.45 49.45 49.45 50.41 50.93 50.93 50.93 55.90 55.90
55.90
56.48 58.69 59.53 59.53 59.53 61.77 61.77 61.77 63.16
63.16
64.07 64.07 64.07 65.78 65.78 65.78 65.88 65.88 65.95
65.95
65.95 66.37 66.37 66.37 66.50 66.50 66.95 67.07 67.07
67.07
68.26 68.26 68.26 69.19 69.75 69.75 69.75 69.91 70.25
70.25
70.25 71.03 71.03 71.84 71.84 71.84 76.89 80.03 80.03
80.03
80.57 80.57 80.57 83.75 83.75 83.75 84.94 84.94 86.08
86.08
86.08 86.35 86.35 86.35 86.41 86.41 86.72 86.72 86.72
86.84
95.83 96.00 96.00 96.00 96.05 96.05 96.15 96.15 96.15
96.73
96.73 96.73 98.68 98.68 98.68 99.96 99.96 100.58 100.98
100.98
100.98 101.74 101.74 101.74 101.82 101.82 101.82 101.97 101.97
101.97
103.06 103.06 103.06 103.07 103.07 103.07 105.22 105.22 105.22
105.43
test on the normalization of the wavefunctions
min sum_G |a(n,k,G)| = 0.000000
max sum_G |a(n,k,G)| = 1.000000
test on the orthogonalization of the wavefunctions
min sum_G a(n,k,G)* a(n",k,G) = 0.000000
max sum_G a(n,k,G)* a(n",k,G) = 0.000436
-P-0000 timing point number 10
-P-0000 -cpu time = 25.46 seconds
-P-0000 -real time = 35.21 seconds
-P-0000
testscr : testing screening file testo_DS2_SCR
epsilon^-1 file in the format em1
em1 file: epsilon^-1
TESTPARTICLE RPA
dimension of epsilon^-1 matrix 739
number of planewaves used 739
number of bands used 200
number of q-points 20
number of omega 2
rdscr: reading screening (epsilon-twiddle^-1) file in the SCR format from :
testo_DS2_SCR
q-points [reciprocal lattice units]:
1 0.000010 0.000020 0.000030
2 0.166667 0.000000 0.000000
3 0.333333 0.000000 0.000000
4 -0.500000 0.000000 0.000000
5 0.166667 0.166667 0.000000
6 0.333333 0.166667 0.000000
7 -0.500000 0.166667 0.000000
8 0.333333 0.333333 0.000000
9 -0.500000 0.333333 0.000000
10 0.500000 -0.500000 0.000000
11 0.166667 0.166667 0.166667
12 0.333333 0.166667 0.166667
13 -0.500000 0.166667 0.166667
14 0.333333 0.333333 0.166667
15 -0.500000 0.333333 0.166667
16 0.500000 -0.500000 0.166667
17 0.333333 0.333333 0.333333
18 -0.500000 0.333333 0.333333
19 0.500000 -0.500000 0.333333
20 0.500000 0.500000 -0.500000
frequencies omega [eV]:
1 0.00 0.00
2 0.00 16.70
dielectric constant with LF = 9.96
epsilon-twiddle^-1 read
nomegaer= 1 nomegaei= 1
-P-0000 timing point number 70
-P-0000 -cpu time = 28.44 seconds
-P-0000 -real time = 40.15 seconds
-P-0000
Bravais lattice: fcc
a = 12.41 [au] 6.57 Angstrom
real-space lattice vectors in cartesians [au]: 7.82 0.00 0.00
0.00 7.82 0.00
0.00 0.00 7.82
calculated reciprocal lattice vectors in cartesians [au]:
0.8037 0.0000 0.0000
0.0000 0.8037 0.0000
0.0000 0.0000 0.8037
brillouin zone volume = 0.5192 [au]
unit cell volume = 477.75 [au]
setmesh: npwwfn = 739 ; Max (m1,m2,m3) = 5 5 5
setmesh: npweps/npwsigx = 739 ; Max (mm1,mm2,mm3) = 7 7 7
addshell = 2
setmesh: using method 1 with aliasing_factor = 1
setmesh: COMMENT -
Note that npwwfn is small with respect to npweps or with respect to npwsigx.
Such a small npwwfn is a waste:
You could raise npwwfn without loss in cpu time.
setmesh : finding a FFT mesh compatible with all the symmetries
setmesh : divisor mesh 1 1 1
setmesh: mesh size selected = 15x 15x 15
setmesh: total size of FFT array nr = 3375
G-table set up
-P-0000 timing point number 20
-P-0000 -cpu time = 28.46 seconds
-P-0000 -real time = 40.17 seconds
-P-0000
FFT wavefunctions to real space...
done
-P-0000 timing point number 30
-P-0000 -cpu time = 30.83 seconds
-P-0000 -real time = 42.83 seconds
-P-0000
setting up r- and G-rotation tables
r-rotation tables set up
G-rotation tables set up
-P-0000 timing point number 40
-P-0000 -cpu time = 31.08 seconds
-P-0000 -real time = 43.07 seconds
-P-0000
identk : identifying k-points
number of k-points in irreducible wedge (IBZ) 20
k-points [reciprocal lattice units] weights
1 0.000000 0.000000 0.000000 0.020833
2 0.166667 0.000000 0.000000 0.125000
3 0.333333 0.000000 0.000000 0.125000
4 0.500000 0.000000 0.000000 0.062500
5 0.166667 0.166667 0.000000 0.250000
6 0.333333 0.166667 0.000000 0.500000
7 0.500000 0.166667 0.000000 0.250000
8 0.333333 0.333333 0.000000 0.250000
9 0.500000 0.333333 0.000000 0.250000
10 0.500000 0.500000 0.000000 0.062500
11 0.166667 0.166667 0.166667 0.166667
12 0.333333 0.166667 0.166667 0.500000
13 0.500000 0.166667 0.166667 0.250000
14 0.333333 0.333333 0.166667 0.500000
15 0.500000 0.333333 0.166667 0.500000
16 0.500000 0.500000 0.166667 0.125000
17 0.333333 0.333333 0.333333 0.166667
18 0.500000 0.333333 0.333333 0.250000
19 0.500000 0.500000 0.333333 0.125000
20 0.500000 0.500000 0.500000 0.020833
together with the 24 symmetry operations and inversion
have yielded 216 k-points in Brillouin Zone (BZ):
1 0.000 0.000 0.000 0.167 0.000 0.000 -0.167 0.000 0.000 0.000-0.167
0.000
5 0.000 0.167 0.000 0.000 0.000 0.167 0.000 0.000-0.167 0.333 0.000
0.000
9-0.333 0.000 0.000 0.000-0.333 0.000 0.000 0.333 0.000 0.000 0.000
0.333
13 0.000 0.000-0.333 0.500 0.000 0.000 0.000-0.500 0.000 0.000 0.000
0.500
17 0.167 0.167 0.000 -0.167 0.167 0.000 -0.167-0.167 0.000 0.167-0.167
0.000
21 0.000 0.167 0.167 0.000 0.167-0.167 0.000-0.167 0.167
0.000-0.167-0.167
25-0.167 0.000-0.167 0.167 0.000 0.167 0.167 0.000-0.167 -0.167 0.000
0.167
29 0.333 0.167 0.000 -0.333 0.167 0.000 -0.333-0.167 0.000 0.333-0.167
0.000
33-0.167-0.333 0.000 0.167-0.333 0.000 0.167 0.333 0.000 -0.167 0.333
0.000
37 0.000 0.333 0.167 0.000 0.333-0.167 0.000-0.333 0.167
0.000-0.333-0.167
41-0.333 0.000-0.167 0.333 0.000 0.167 0.333 0.000-0.167 -0.333 0.000
0.167
45 0.167 0.000 0.333 -0.167 0.000-0.333 -0.167 0.000 0.333 0.167
0.000-0.333
49 0.000-0.167-0.333 0.000-0.167 0.333 0.000 0.167-0.333 0.000 0.167
0.333
53 0.500 0.167 0.000 -0.500-0.167 0.000 -0.167-0.500 0.000 0.167-0.500
0.000
57 0.000 0.500 0.167 0.000 0.500-0.167 -0.500 0.000-0.167 0.500 0.000
0.167
61 0.167 0.000 0.500 -0.167 0.000-0.500 0.000-0.167-0.500 0.000
0.167-0.500
65 0.333 0.333 0.000 -0.333 0.333 0.000 -0.333-0.333 0.000 0.333-0.333
0.000
69 0.000 0.333 0.333 0.000 0.333-0.333 0.000-0.333 0.333
0.000-0.333-0.333
73-0.333 0.000-0.333 0.333 0.000 0.333 0.333 0.000-0.333 -0.333 0.000
0.333
77 0.500 0.333 0.000 -0.500-0.333 0.000 -0.333-0.500 0.000 0.333-0.500
0.000
81 0.000 0.500 0.333 0.000 0.500-0.333 -0.500 0.000-0.333 0.500 0.000
0.333
85 0.333 0.000 0.500 -0.333 0.000-0.500 0.000-0.333-0.500 0.000
0.333-0.500
89 0.500 0.500 0.000 0.000 0.500 0.500 -0.500 0.000-0.500 0.167 0.167
0.167
93-0.167 0.167-0.167 -0.167-0.167 0.167 0.167-0.167-0.167
-0.167-0.167-0.167
97 0.167-0.167 0.167 0.167 0.167-0.167 -0.167 0.167 0.167 0.333 0.167
0.167
101-0.333 0.167-0.167 -0.333-0.167 0.167 0.333-0.167-0.167
-0.167-0.333-0.167
105 0.167-0.333 0.167 0.167 0.333-0.167 -0.167 0.333 0.167 0.167 0.333
0.167
109-0.167 0.333-0.167 -0.167-0.333 0.167 0.167-0.333-0.167
-0.333-0.167-0.167
113 0.333-0.167 0.167 0.333 0.167-0.167 -0.333 0.167 0.167 0.167 0.167
0.333
117-0.167 0.167-0.333 -0.167-0.167 0.333 0.167-0.167-0.333
-0.167-0.167-0.333
121 0.167-0.167 0.333 0.167 0.167-0.333 -0.167 0.167 0.333 0.500 0.167
0.167
125-0.500 0.167-0.167 -0.500-0.167 0.167 0.500-0.167-0.167
-0.167-0.500-0.167
129 0.167-0.500 0.167 0.167 0.500-0.167 -0.167 0.500 0.167 0.167 0.167
0.500
133-0.167 0.167-0.500 -0.167-0.167 0.500 0.167-0.167-0.500 0.333 0.333
0.167
137-0.333 0.333-0.167 -0.333-0.333 0.167 0.333-0.333-0.167
-0.333-0.333-0.167
141 0.333-0.333 0.167 0.333 0.333-0.167 -0.333 0.333 0.167 0.167 0.333
0.333
145-0.167 0.333-0.333 -0.167-0.333 0.333 0.167-0.333-0.333
-0.333-0.167-0.333
149 0.333-0.167 0.333 0.333 0.167-0.333 -0.333 0.167 0.333 0.333 0.167
0.333
153-0.333 0.167-0.333 -0.333-0.167 0.333 0.333-0.167-0.333
-0.167-0.333-0.333
157 0.167-0.333 0.333 0.167 0.333-0.333 -0.167 0.333 0.333 0.500 0.333
0.167
161-0.500 0.333-0.167 -0.500-0.333 0.167 0.500-0.333-0.167
-0.333-0.500-0.167
165 0.333-0.500 0.167 0.333 0.500-0.167 -0.333 0.500 0.167 0.167 0.500
0.333
169-0.167 0.500-0.333 -0.167-0.500 0.333 0.167-0.500-0.333
-0.500-0.167-0.333
173 0.500-0.167 0.333 0.500 0.167-0.333 -0.500 0.167 0.333 0.333 0.167
0.500
177-0.333 0.167-0.500 -0.333-0.167 0.500 0.333-0.167-0.500
-0.167-0.333-0.500
181 0.167-0.333 0.500 0.167 0.333-0.500 -0.167 0.333 0.500 0.500 0.500
0.167
185-0.500 0.500-0.167 0.167 0.500 0.500 -0.167 0.500-0.500
-0.500-0.167-0.500
189 0.500 0.167-0.500 0.333 0.333 0.333 -0.333 0.333-0.333 -0.333-0.333
0.333
193 0.333-0.333-0.333 -0.333-0.333-0.333 0.333-0.333 0.333 0.333
0.333-0.333
197-0.333 0.333 0.333 0.500 0.333 0.333 -0.500 0.333-0.333 -0.500-0.333
0.333
201 0.500-0.333-0.333 -0.333-0.500-0.333 0.333-0.500 0.333 0.333
0.500-0.333
205-0.333 0.500 0.333 0.333 0.333 0.500 -0.333 0.333-0.500 -0.333-0.333
0.500
209 0.333-0.333-0.500 0.500 0.500 0.333 -0.500 0.500-0.333 0.333 0.500
0.500
213-0.333 0.500-0.500 -0.500-0.333-0.500 0.500 0.333-0.500 0.500 0.500
0.500
-P-0000 timing point number 50
-P-0000 -cpu time = 31.10 seconds
-P-0000 -real time = 43.09 seconds
-P-0000
fermi : total number of electrons = 8
fermi : input and calculated number of electrons differ by 0.00000000
top of valence [eV] -4.11
bottom of conduction [eV] -3.61
Fermi energy [eV] -3.86
check if the k-points for sigma are in the set of BZ
check ok!
-P-0000 timing point number 60
-P-0000 -cpu time = 31.10 seconds
-P-0000 -real time = 43.09 seconds
-P-0000
crho: calculating charge density...
total number of electrons per unit cell = 7.9995
average of density, n = 0.016744
r_s = 2.4248
omega_plasma = 12.4820 [eV]
cmevxclda : enter
cvxclda: calculating Vxc using ixc = 7
dtsetcopy : copying area algalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area istwfk the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kberry the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area nband the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : allocated densty= T
dtsetcopy : copying area kpt the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area kptns the actual size ( ) of the index
( ) differs from its standard size (
)
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area mixalch the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area occ_orig the actual size ( ) of the index
( ) differs from its standard size (Ð )
dtsetcopy : copying area shiftk the actual size ( ) of the index
( ) differs from its standard size ( )
dtsetcopy : copying area wtk the actual size ( ) of the index
( ) differs from its standard size (
)
cvxclda: calling rhohxc to calculate Vxc[n_val] (excluding non-linear core
corrections)
cvxclda: rhohxc returned Exc[n_val] = -2.2118 [Ha]
and <Vxc[n_val]> = -0.2695 [Ha]
cmevxclda : exit
identq: identifying q-points
q-points in irreducible wedge (IBZ) 20
q-points [reciprocal lattice units]:
1 0.000010 0.000020 0.000030
2 0.166667 0.000000 0.000000
3 0.333333 0.000000 0.000000
4 -0.500000 0.000000 0.000000
5 0.166667 0.166667 0.000000
6 0.333333 0.166667 0.000000
7 -0.500000 0.166667 0.000000
8 0.333333 0.333333 0.000000
9 -0.500000 0.333333 0.000000
10 0.500000 -0.500000 0.000000
11 0.166667 0.166667 0.166667
12 0.333333 0.166667 0.166667
13 -0.500000 0.166667 0.166667
14 0.333333 0.333333 0.166667
15 -0.500000 0.333333 0.166667
16 0.500000 -0.500000 0.166667
17 0.333333 0.333333 0.333333
18 -0.500000 0.333333 0.333333
19 0.500000 -0.500000 0.333333
20 0.500000 0.500000 -0.500000
together with the 24 symmetry operations and inversion
have yielded 216 q-points in Brillouin Zone (BZ):
1 0.00 0.00 0.00 2 0.17 0.00 0.00 3-0.17 0.00 0.00 4 0.00-0.17
0.00
5 0.00 0.17 0.00 6 0.00 0.00 0.17 7 0.00 0.00-0.17 8 0.33 0.00
0.00
9-0.33 0.00 0.00 10 0.00-0.33 0.00 11 0.00 0.33 0.00 12 0.00 0.00
0.33
13 0.00 0.00-0.33 14-0.50 0.00 0.00 15 0.00 0.50 0.00 16 0.00
0.00-0.50
17 0.17 0.17 0.00 18-0.17-0.17 0.00 19-0.17 0.17 0.00 20 0.17-0.17
0.00
21 0.00 0.17 0.17 22 0.00-0.17-0.17 23 0.00 0.17-0.17 24 0.00-0.17
0.17
25-0.17 0.00-0.17 26 0.17 0.00 0.17 27 0.17 0.00-0.17 28-0.17 0.00
0.17
29 0.33 0.17 0.00 30-0.33-0.17 0.00 31-0.33 0.17 0.00 32 0.33-0.17
0.00
33-0.17-0.33 0.00 34 0.17 0.33 0.00 35 0.17-0.33 0.00 36-0.17 0.33
0.00
37 0.00 0.33 0.17 38 0.00-0.33-0.17 39 0.00 0.33-0.17 40 0.00-0.33
0.17
41-0.33 0.00-0.17 42 0.33 0.00 0.17 43 0.33 0.00-0.17 44-0.33 0.00
0.17
45 0.17 0.00 0.33 46-0.17 0.00-0.33 47-0.17 0.00 0.33 48 0.17
0.00-0.33
49 0.00-0.17-0.33 50 0.00 0.17 0.33 51 0.00-0.17 0.33 52 0.00
0.17-0.33
53-0.50 0.17 0.00 54 0.50-0.17 0.00 55-0.17 0.50 0.00 56 0.17-0.50
0.00
57 0.00-0.50 0.17 58 0.00 0.50-0.17 59 0.50 0.00-0.17 60-0.50 0.00
0.17
61 0.17 0.00-0.50 62-0.17 0.00 0.50 63 0.00-0.17 0.50 64 0.00
0.17-0.50
65 0.33 0.33 0.00 66-0.33-0.33 0.00 67-0.33 0.33 0.00 68 0.33-0.33
0.00
69 0.00 0.33 0.33 70 0.00-0.33-0.33 71 0.00 0.33-0.33 72 0.00-0.33
0.33
73-0.33 0.00-0.33 74 0.33 0.00 0.33 75 0.33 0.00-0.33 76-0.33 0.00
0.33
77-0.50 0.33 0.00 78 0.50-0.33 0.00 79-0.33 0.50 0.00 80 0.33-0.50
0.00
81 0.00-0.50 0.33 82 0.00 0.50-0.33 83 0.50 0.00-0.33 84-0.50 0.00
0.33
85 0.33 0.00-0.50 86-0.33 0.00 0.50 87 0.00-0.33 0.50 88 0.00
0.33-0.50
89 0.50-0.50 0.00 90 0.00 0.50-0.50 91-0.50 0.00 0.50 92 0.17 0.17
0.17
93-0.17-0.17-0.17 94-0.17 0.17-0.17 95 0.17-0.17 0.17 96-0.17-0.17
0.17
97 0.17 0.17-0.17 98 0.17-0.17-0.17 99-0.17 0.17 0.17 100 0.33 0.17
0.17
101-0.33-0.17-0.17 102-0.33 0.17-0.17 103 0.33-0.17 0.17 104-0.33-0.17
0.17
105 0.33 0.17-0.17 106 0.33-0.17-0.17 107-0.33 0.17 0.17
108-0.17-0.33-0.17
109 0.17 0.33 0.17 110 0.17-0.33 0.17 111-0.17 0.33-0.17 112 0.17
0.33-0.17
113-0.17-0.33 0.17 114-0.17 0.33 0.17 115 0.17-0.33-0.17 116 0.17 0.17
0.33
117-0.17-0.17-0.33 118-0.17 0.17-0.33 119 0.17-0.17 0.33 120-0.17-0.17
0.33
121 0.17 0.17-0.33 122 0.17-0.17-0.33 123-0.17 0.17 0.33 124-0.50 0.17
0.17
125 0.50-0.17-0.17 126 0.50 0.17-0.17 127-0.50-0.17 0.17 128-0.17
0.50-0.17
129 0.17-0.50 0.17 130 0.17-0.50-0.17 131-0.17 0.50 0.17 132 0.17
0.17-0.50
133-0.17-0.17 0.50 134-0.17 0.17 0.50 135 0.17-0.17-0.50 136 0.33 0.33
0.17
137-0.33-0.33-0.17 138-0.33 0.33-0.17 139 0.33-0.33 0.17 140-0.33-0.33
0.17
141 0.33 0.33-0.17 142 0.33-0.33-0.17 143-0.33 0.33 0.17 144 0.17 0.33
0.33
145-0.17-0.33-0.33 146-0.17 0.33-0.33 147 0.17-0.33 0.33 148-0.17-0.33
0.33
149 0.17 0.33-0.33 150 0.17-0.33-0.33 151-0.17 0.33 0.33
152-0.33-0.17-0.33
153 0.33 0.17 0.33 154 0.33-0.17 0.33 155-0.33 0.17-0.33 156 0.33
0.17-0.33
157-0.33-0.17 0.33 158-0.33 0.17 0.33 159 0.33-0.17-0.33 160-0.50 0.33
0.17
161 0.50-0.33-0.17 162 0.50 0.33-0.17 163-0.50-0.33 0.17 164-0.33
0.50-0.17
165 0.33-0.50 0.17 166 0.33-0.50-0.17 167-0.33 0.50 0.17 168 0.17-0.50
0.33
169-0.17 0.50-0.33 170-0.17 0.50 0.33 171 0.17-0.50-0.33 172
0.50-0.17-0.33
173-0.50 0.17 0.33 174-0.50-0.17 0.33 175 0.50 0.17-0.33 176 0.33
0.17-0.50
177-0.33-0.17 0.50 178-0.33 0.17 0.50 179 0.33-0.17-0.50 180-0.17-0.33
0.50
181 0.17 0.33-0.50 182 0.17-0.33-0.50 183-0.17 0.33 0.50 184 0.50-0.50
0.17
185-0.50 0.50-0.17 186 0.17 0.50-0.50 187-0.17-0.50 0.50 188-0.50-0.17
0.50
189 0.50 0.17-0.50 190 0.33 0.33 0.33 191-0.33-0.33-0.33 192-0.33
0.33-0.33
193 0.33-0.33 0.33 194-0.33-0.33 0.33 195 0.33 0.33-0.33 196
0.33-0.33-0.33
197-0.33 0.33 0.33 198-0.50 0.33 0.33 199 0.50-0.33-0.33 200 0.50
0.33-0.33
201-0.50-0.33 0.33 202-0.33 0.50-0.33 203 0.33-0.50 0.33 204
0.33-0.50-0.33
205-0.33 0.50 0.33 206 0.33 0.33-0.50 207-0.33-0.33 0.50 208-0.33 0.33
0.50
209 0.33-0.33-0.50 210 0.50-0.50 0.33 211-0.50 0.50-0.33 212 0.33
0.50-0.50
213-0.33-0.50 0.50 214-0.50-0.33 0.50 215 0.50 0.33-0.50 216 0.50
0.50-0.50
-P-0000 timing point number 80
-P-0000 -cpu time = 58.71 seconds
-P-0000 -real time = 71.26 seconds
-P-0000
-P-0000 timing point number 90
-P-0000 -cpu time = 59.44 seconds
-P-0000 -real time = 72.23 seconds
-P-0000
cppm1par : enter
cppm1par : omega twiddle minval [eV] = 0.008154297162
cppm1par : omega twiddle min location 249 248 16
cppm1par : exit
crho: calculating charge density...
total number of electrons per unit cell = 7.9995
average of density, n = 0.016744
r_s = 2.4248
omega_plasma = 12.4820 [eV]
-P-0000 timing point number 100
-P-0000 -cpu time = 61.20 seconds
-P-0000 -real time = 74.98 seconds
-P-0000
SIGMA fundamental parameters:
PLASMON POLE MODEL 1
number of plane-waves for SigmaX 739
number of plane-waves for SigmaC and W 739
number of plane-waves for wavefunctions 739
number of bands 200
number of independent spin polarisations 1
number of k-points in IBZ 20
number of q-points in IBZ 20
number of symmetry operations 24
number of k-points in BZ 216
number of q-points in BZ 216
number of omega for sigma on real axis 9
deltae [eV] 0.25
number of omega for sigma on real axis 0
max omega for sigma on real axis [eV] 0.00
EPSILON^-1 parameters (SCR file):
dimension of the eps^-1 matrix 739
number of plane-waves for wavefunctions 739
number of bands 200
number of q-points in IBZ 20
number of frequencies 2
number of real frequencies 1
number of imag frequencies 1
matrix elements of self-energy operator (all in [eV])
Perturbative Calculation
-P-0000 timing point number 110
-P-0000 -cpu time = 61.20 seconds
-P-0000 -real time = 78.58 seconds
-P-0000
sigma : loop over k point, treating k point number : 1
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.000 0.000 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.082116056632918
estimated slope = 1.843168061229697
Omega [eV] SigC [eV]
-15.91471378199169 0.8501602223034036
-15.66471378199169 8.059325399630428
-15.41471378199169 7.685354929980755
-15.16471378199169 9.993830107557939
-14.91471378199169 9.480350577997774
-14.66471378199169 6.613188363409706
-14.41471378199169 7.209038565813974
-14.16471378199169 8.644161515472696
-13.91471378199169 8.406731983153762
1 -14.915 -10.718 -16.911 9.480 -1.186 1.843 -14.616 -3.899 -18.813
1 0.000 0.000 0.000 0.918 0.000 0.000 -1.089 -1.089 -1.089
2 -4.502 -10.219 -12.092 2.380 0.782 -0.279 -9.823 0.396 -4.105
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -4.502 -10.219 -12.092 2.381 0.782 -0.279 -9.822 0.397 -4.105
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -4.502 -10.219 -12.092 2.382 0.782 -0.279 -9.821 0.398 -4.104
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -3.607 -6.064 -2.346 -2.267 0.795 -0.258 -4.910 1.153 -2.454
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -3.607 -6.064 -2.346 -2.267 0.795 -0.258 -4.910 1.153 -2.454
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -1.499 -7.330 -3.318 -1.961 0.804 -0.243 -5.680 1.650 0.151
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.686 -6.378 -1.713 -2.310 0.793 -0.261 -4.511 1.866 2.553
8 0.000 0.000 0.000 0.002 0.000 0.000 0.001 0.001 0.001
9 0.686 -6.378 -1.713 -2.306 0.793 -0.261 -4.507 1.871 2.557
9 0.000 0.000 0.000 0.002 0.000 0.000 0.002 0.002 0.002
10 0.686 -6.378 -1.713 -2.302 0.793 -0.260 -4.503 1.875 2.561
10 0.000 0.000 0.000 0.002 0.000 0.000 0.002 0.002 0.002
11 2.821 -5.732 -0.760 -2.212 0.771 -0.296 -3.602 2.130 4.951
11 0.000 0.000 0.000 0.007 0.000 0.000 0.006 0.006 0.006
12 2.821 -5.732 -0.760 -2.211 0.771 -0.297 -3.603 2.129 4.950
12 0.000 0.000 0.000 0.005 0.000 0.000 0.004 0.004 0.004
13 2.821 -5.732 -0.760 -2.211 0.771 -0.298 -3.604 2.128 4.949
13 0.000 0.000 0.000 0.002 0.000 0.000 0.002 0.002 0.002
14 3.836 -5.934 -0.636 -1.945 0.795 -0.258 -3.268 2.666 6.502
14 0.000 0.000 0.000 0.002 0.000 0.000 0.001 0.001 0.001
15 4.385 -5.672 -0.742 -1.946 0.741 -0.350 -3.462 2.211 6.596
15 0.000 0.000 0.000 0.003 0.000 0.000 0.002 0.002 0.002
16 4.385 -5.672 -0.742 -1.945 0.741 -0.350 -3.460 2.212 6.598
16 0.000 0.000 0.000 0.004 0.000 0.000 0.003 0.003 0.003
k = 0.000 0.000 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.915 -10.718 -16.911 9.480 -1.186 1.843 -14.616 -3.899 -18.813
2 -4.502 -10.219 -12.092 2.380 0.782 -0.279 -9.823 0.396 -4.105
3 -4.502 -10.219 -12.092 2.381 0.782 -0.279 -9.822 0.397 -4.105
4 -4.502 -10.219 -12.092 2.382 0.782 -0.279 -9.821 0.398 -4.104
5 -3.607 -6.064 -2.346 -2.267 0.795 -0.258 -4.910 1.153 -2.454
6 -3.607 -6.064 -2.346 -2.267 0.795 -0.258 -4.910 1.153 -2.454
7 -1.499 -7.330 -3.318 -1.961 0.804 -0.243 -5.680 1.650 0.151
8 0.686 -6.378 -1.713 -2.310 0.793 -0.261 -4.511 1.866 2.553
9 0.686 -6.378 -1.713 -2.306 0.793 -0.261 -4.507 1.871 2.557
10 0.686 -6.378 -1.713 -2.302 0.793 -0.260 -4.503 1.875 2.561
11 2.821 -5.732 -0.760 -2.212 0.771 -0.296 -3.602 2.130 4.951
12 2.821 -5.732 -0.760 -2.211 0.771 -0.297 -3.603 2.129 4.950
13 2.821 -5.732 -0.760 -2.211 0.771 -0.298 -3.604 2.128 4.949
14 3.836 -5.934 -0.636 -1.945 0.795 -0.258 -3.268 2.666 6.502
15 4.385 -5.672 -0.742 -1.946 0.741 -0.350 -3.462 2.211 6.596
16 4.385 -5.672 -0.742 -1.945 0.741 -0.350 -3.460 2.212 6.598
E^0_gap 0.895
E^GW_gap 1.651
DeltaE^GW_gap 0.755
-P-0000 timing point number 201
-P-0000 -cpu time = 10709.54 seconds
-P-0000 -real time = 10828.51 seconds
-P-0000
sigma : loop over k point, treating k point number : 2
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.167 0.167 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.022622359060455
estimated slope = 0.809108052674247
Omega [eV] SigC [eV]
-15.64259370880005 6.971030817265705
-15.39259370880005 8.275002486059547
-15.14259370880005 8.609676959063172
-14.89259370880005 7.623328466725990
-14.64259370880005 7.219165053970635
-14.39259370880005 7.732269107914836
-14.14259370880005 8.383424922240616
-13.89259370880005 9.508663710136281
-13.64259370880005 9.165830954850600
1 -14.643 -10.853 -16.945 7.219 5.239 0.809 -4.946 5.907 -8.735
1 0.000 0.000 0.000 2.990 0.000 0.000 15.663 15.663 15.663
2 -6.023 -9.198 -11.312 2.491 0.756 -0.323 -8.913 0.285 -5.738
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -5.428 -9.330 -11.342 2.343 0.768 -0.302 -9.076 0.254 -5.174
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -4.697 -9.978 -11.806 2.367 0.779 -0.284 -9.558 0.419 -4.277
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.931 -6.124 -2.166 -2.461 0.790 -0.267 -4.942 1.182 -1.749
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -2.024 -6.704 -2.775 -2.324 0.787 -0.271 -5.441 1.263 -0.761
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.701 -7.042 -2.831 -2.096 0.799 -0.251 -5.351 1.691 0.990
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.015 -6.470 -1.956 -2.287 0.797 -0.255 -4.695 1.775 1.760
8 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
9 1.463 -7.491 -2.967 -2.045 0.785 -0.274 -5.546 1.945 3.408
9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
10 1.588 -6.533 -1.633 -2.494 0.775 -0.291 -4.669 1.864 3.452
10 0.000 0.000 0.000 -0.002 0.000 0.000 -0.002 -0.002 -0.002
11 2.527 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.941
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 2.652 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.066
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 3.214 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.627
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 3.441 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.855
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 3.467 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.881
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.253 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.666
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.167 0.167 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.643 -10.853 -16.945 7.219 5.239 0.809 -4.946 5.907 -8.735
2 -6.023 -9.198 -11.312 2.491 0.756 -0.323 -8.913 0.285 -5.738
3 -5.428 -9.330 -11.342 2.343 0.768 -0.302 -9.076 0.254 -5.174
4 -4.697 -9.978 -11.806 2.367 0.779 -0.284 -9.558 0.419 -4.277
5 -2.931 -6.124 -2.166 -2.461 0.790 -0.267 -4.942 1.182 -1.749
6 -2.024 -6.704 -2.775 -2.324 0.787 -0.271 -5.441 1.263 -0.761
7 -0.701 -7.042 -2.831 -2.096 0.799 -0.251 -5.351 1.691 0.990
8 -0.015 -6.470 -1.956 -2.287 0.797 -0.255 -4.695 1.775 1.760
9 1.463 -7.491 -2.967 -2.045 0.785 -0.274 -5.546 1.945 3.408
10 1.588 -6.533 -1.633 -2.494 0.775 -0.291 -4.669 1.864 3.452
11 2.527 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.941
12 2.652 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.066
13 3.214 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.627
14 3.441 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.855
15 3.467 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.881
16 4.253 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.666
E^0_gap 1.765
E^GW_gap 2.528
DeltaE^GW_gap 0.762
-P-0000 timing point number 202
-P-0000 -cpu time = 21039.35 seconds
-P-0000 -real time = 21256.78 seconds
-P-0000
sigma : loop over k point, treating k point number : 3
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.333 0.333 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.027706059195449
estimated slope = 1.529178699398969
Omega [eV] SigC [eV]
-15.27681071608076 8.021964359398396
-15.02681071608076 7.791408544835195
-14.77681071608076 6.237211978131339
-14.52681071608076 8.265941602566764
-14.27681071608075 8.008790274341539
-14.02681071608075 9.766354328393072
-13.77681071608075 9.286225629732460
-13.52681071608075 10.45751654247415
-13.27681071608076 9.857193476657690
1 -14.277 -11.051 -16.958 8.009 -1.890 1.529 -15.024 -3.973 -18.249
1 0.000 0.000 0.000 3.272 0.000 0.000 -6.183 -6.183 -6.183
2 -6.780 -9.047 -11.702 2.834 0.737 -0.357 -8.915 0.132 -6.648
2 0.000 0.000 0.000 -0.002 0.000 0.000 -0.001 -0.001 -0.001
3 -6.136 -9.464 -12.157 2.796 0.752 -0.331 -9.386 0.077 -6.059
3 0.000 0.000 0.000 -0.001 0.000 0.000 0.000 0.000 0.000
4 -4.568 -9.973 -11.618 2.274 0.782 -0.279 -9.482 0.492 -4.076
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.537 -6.201 -2.129 -2.535 0.785 -0.273 -4.993 1.208 -1.330
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -1.090 -7.051 -2.961 -2.055 0.803 -0.245 -5.417 1.634 0.544
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.890 -6.578 -2.282 -2.200 0.800 -0.249 -4.900 1.678 0.788
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 0.239 -7.031 -2.546 -2.256 0.792 -0.263 -5.266 1.765 2.004
8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.308 -5.901 -1.273 -2.842 0.759 -0.318 -4.547 1.355 1.663
9 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.001
10 1.230 -6.479 -1.847 -2.252 0.781 -0.280 -4.619 1.859 3.089
10 0.000 0.000 0.000 0.003 0.000 0.000 0.002 0.002 0.002
11 3.058 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.471
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 3.065 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.479
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 3.886 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.299
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 4.111 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.525
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 4.133 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.547
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.395 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.808
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.333 0.333 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.277 -11.051 -16.958 8.009 -1.890 1.529 -15.024 -3.973 -18.249
2 -6.780 -9.047 -11.702 2.834 0.737 -0.357 -8.915 0.132 -6.648
3 -6.136 -9.464 -12.157 2.796 0.752 -0.331 -9.386 0.077 -6.059
4 -4.568 -9.973 -11.618 2.274 0.782 -0.279 -9.482 0.492 -4.076
5 -2.537 -6.201 -2.129 -2.535 0.785 -0.273 -4.993 1.208 -1.330
6 -1.090 -7.051 -2.961 -2.055 0.803 -0.245 -5.417 1.634 0.544
7 -0.890 -6.578 -2.282 -2.200 0.800 -0.249 -4.900 1.678 0.788
8 0.239 -7.031 -2.546 -2.256 0.792 -0.263 -5.266 1.765 2.004
9 0.308 -5.901 -1.273 -2.842 0.759 -0.318 -4.547 1.355 1.663
10 1.230 -6.479 -1.847 -2.252 0.781 -0.280 -4.619 1.859 3.089
11 3.058 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.471
12 3.065 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.479
13 3.886 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.299
14 4.111 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.525
15 4.133 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.547
16 4.395 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.808
E^0_gap 2.030
E^GW_gap 2.746
DeltaE^GW_gap 0.716
-P-0000 timing point number 203
-P-0000 -cpu time = 31645.46 seconds
-P-0000 -real time = 31960.98 seconds
-P-0000
sigma : loop over k point, treating k point number : 4
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.500 0.500 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.036169122095040
estimated slope = 1.935043078868248
Omega [eV] SigC [eV]
-15.21746286180985 7.884646520037220
-14.96746286180985 5.942809089605302
-14.71746286180985 6.952169452522561
-14.46746286180985 7.427326140380860
-14.21746286180985 8.463792112343386
-13.96746286180985 10.75556065241633
-13.71746286180985 10.14143419467911
-13.46746286180985 10.48562125726211
-13.21746286180985 9.307257940963582
1 -14.217 -11.069 -16.907 8.464 -1.069 1.935 -13.877 -2.808 -17.025
1 0.000 0.000 0.000 4.539 0.000 0.000 -4.854 -4.854 -4.854
2 -6.372 -9.523 -12.405 2.918 0.746 -0.340 -9.497 0.026 -6.345
2 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
3 -6.372 -9.523 -12.405 2.918 0.746 -0.340 -9.497 0.026 -6.345
3 0.000 0.000 0.000 -0.001 0.000 0.000 0.000 0.000 0.000
4 -4.105 -10.493 -12.065 2.271 0.790 -0.266 -9.941 0.552 -3.553
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -3.327 -6.178 -2.356 -2.290 0.793 -0.260 -4.962 1.216 -2.111
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -1.555 -7.121 -3.038 -1.994 0.808 -0.237 -5.433 1.688 0.134
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -1.223 -6.615 -2.412 -2.161 0.801 -0.248 -4.979 1.636 0.413
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -1.223 -6.615 -2.412 -2.160 0.801 -0.248 -4.978 1.637 0.414
8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 2.252 -5.464 -0.749 -2.921 0.700 -0.428 -4.208 1.257 3.508
9 0.000 0.000 0.000 0.022 0.000 0.000 0.015 0.015 0.015
10 2.252 -5.464 -0.749 -2.922 0.700 -0.428 -4.209 1.256 3.508
10 0.000 0.000 0.000 0.021 0.000 0.000 0.015 0.015 0.015
11 2.790 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.204
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 3.328 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.742
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 3.672 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.086
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 3.672 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.086
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 4.328 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.742
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.380 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.794
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.500 0.500 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.217 -11.069 -16.907 8.464 -1.069 1.935 -13.877 -2.808 -17.025
2 -6.372 -9.523 -12.405 2.918 0.746 -0.340 -9.497 0.026 -6.345
3 -6.372 -9.523 -12.405 2.918 0.746 -0.340 -9.497 0.026 -6.345
4 -4.105 -10.493 -12.065 2.271 0.790 -0.266 -9.941 0.552 -3.553
5 -3.327 -6.178 -2.356 -2.290 0.793 -0.260 -4.962 1.216 -2.111
6 -1.555 -7.121 -3.038 -1.994 0.808 -0.237 -5.433 1.688 0.134
7 -1.223 -6.615 -2.412 -2.161 0.801 -0.248 -4.979 1.636 0.413
8 -1.223 -6.615 -2.412 -2.160 0.801 -0.248 -4.978 1.637 0.414
9 2.252 -5.464 -0.749 -2.921 0.700 -0.428 -4.208 1.257 3.508
10 2.252 -5.464 -0.749 -2.922 0.700 -0.428 -4.209 1.256 3.508
11 2.790 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.204
12 3.328 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.742
13 3.672 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.086
14 3.672 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.086
15 4.328 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.742
16 4.380 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.794
E^0_gap 0.778
E^GW_gap 1.442
DeltaE^GW_gap 0.664
-P-0000 timing point number 204
-P-0000 -cpu time = 41886.32 seconds
-P-0000 -real time = 42297.03 seconds
-P-0000
sigma : loop over k point, treating k point number : 5
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.333 -0.500 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.029135621648762
estimated slope = 1.494351754641420
Omega [eV] SigC [eV]
-15.22432846994105 7.593905126988664
-14.97432846994105 8.068140561499805
-14.72432846994105 7.516413609745950
-14.47432846994105 6.519743998263270
-14.22432846994105 9.385694229464606
-13.97432846994105 9.417384209259421
-13.72432846994105 10.05530349441943
-13.47432846994105 10.38832198209304
-13.22432846994105 9.463733146363422
1 -14.224 -11.076 -16.942 9.386 -2.023 1.494 -18.196 -7.120 -21.344
1 0.000 0.000 0.000 3.500 0.000 0.000 -7.081 -7.081 -7.081
2 -6.846 -9.145 -12.009 2.929 0.736 -0.358 -9.097 0.049 -6.797
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -6.129 -9.497 -12.148 2.791 0.752 -0.330 -9.391 0.106 -6.024
3 0.000 0.000 0.000 -0.001 0.000 0.000 0.000 0.000 0.000
4 -4.433 -10.063 -11.631 2.233 0.784 -0.275 -9.541 0.522 -3.910
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.802 -6.245 -2.312 -2.418 0.788 -0.268 -5.051 1.194 -1.608
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -1.154 -7.199 -3.090 -2.008 0.806 -0.241 -5.506 1.693 0.539
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.873 -6.585 -2.280 -2.230 0.799 -0.251 -4.927 1.658 0.785
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 -0.556 -7.012 -2.764 -2.110 0.799 -0.251 -5.303 1.710 1.153
8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.753 -5.989 -1.365 -2.689 0.761 -0.314 -4.516 1.473 2.226
9 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
10 2.103 -5.708 -0.991 -2.666 0.730 -0.370 -4.210 1.497 3.600
10 0.000 0.000 0.000 0.013 0.000 0.000 0.009 0.009 0.009
11 2.767 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.181
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 2.865 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.279
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 3.894 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.308
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 4.100 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.513
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 4.342 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.755
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.391 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.805
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.333 -0.500 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.224 -11.076 -16.942 9.386 -2.023 1.494 -18.196 -7.120 -21.344
2 -6.846 -9.145 -12.009 2.929 0.736 -0.358 -9.097 0.049 -6.797
3 -6.129 -9.497 -12.148 2.791 0.752 -0.330 -9.391 0.106 -6.024
4 -4.433 -10.063 -11.631 2.233 0.784 -0.275 -9.541 0.522 -3.910
5 -2.802 -6.245 -2.312 -2.418 0.788 -0.268 -5.051 1.194 -1.608
6 -1.154 -7.199 -3.090 -2.008 0.806 -0.241 -5.506 1.693 0.539
7 -0.873 -6.585 -2.280 -2.230 0.799 -0.251 -4.927 1.658 0.785
8 -0.556 -7.012 -2.764 -2.110 0.799 -0.251 -5.303 1.710 1.153
9 0.753 -5.989 -1.365 -2.689 0.761 -0.314 -4.516 1.473 2.226
10 2.103 -5.708 -0.991 -2.666 0.730 -0.370 -4.210 1.497 3.600
11 2.767 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.181
12 2.865 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.279
13 3.894 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.308
14 4.100 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.513
15 4.342 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.755
16 4.391 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.805
E^0_gap 1.631
E^GW_gap 2.302
DeltaE^GW_gap 0.672
-P-0000 timing point number 205
-P-0000 -cpu time = 52291.70 seconds
-P-0000 -real time = 52803.77 seconds
-P-0000
sigma : loop over k point, treating k point number : 6
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.167 -0.500 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.027811959347709
estimated slope = 1.136248197907460
Omega [eV] SigC [eV]
-15.23972378115800 8.526816059415937
-14.98972378115800 7.861692227791339
-14.73972378115800 7.057590516663283
-14.48972378115800 7.224603368183702
-14.23972378115800 7.705915261063948
-13.98972378115800 9.828992257337765
-13.73972378115800 9.458169132970065
-13.48972378115800 9.732308502670884
-13.23972378115800 9.533398064967558
1 -14.240 -11.088 -17.007 7.706 -7.340 1.136 -24.203 -13.115 -27.355
1 0.000 0.000 0.000 3.345 0.000 0.000 -24.548 -24.548 -24.548
2 -7.563 -8.800 -11.825 3.112 0.716 -0.397 -8.738 0.063 -7.501
2 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
3 -5.506 -9.514 -11.638 2.517 0.764 -0.308 -9.213 0.301 -5.205
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -4.893 -9.700 -11.430 2.320 0.776 -0.289 -9.242 0.458 -4.436
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.501 -5.693 -1.270 -2.942 0.779 -0.284 -4.540 1.153 -1.348
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.125 -7.356 -3.213 -2.024 0.798 -0.253 -5.664 1.692 1.567
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.108 -6.465 -1.897 -2.380 0.792 -0.263 -4.733 1.732 1.840
7 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
8 0.477 -6.807 -2.346 -2.349 0.776 -0.289 -5.169 1.638 2.114
8 0.000 0.000 0.000 0.002 0.000 0.000 0.001 0.001 0.001
9 0.831 -7.289 -2.698 -2.183 0.791 -0.264 -5.384 1.905 2.737
9 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
10 1.014 -6.912 -2.525 -1.756 0.822 -0.217 -4.749 2.163 3.177
10 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000
11 2.072 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.485
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 2.409 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.822
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 3.192 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.606
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 3.813 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.226
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 4.165 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.579
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.243 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.657
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.167 -0.500 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.240 -11.088 -17.007 7.706 -7.340 1.136 -24.203 -13.115 -27.355
2 -7.563 -8.800 -11.825 3.112 0.716 -0.397 -8.738 0.063 -7.501
3 -5.506 -9.514 -11.638 2.517 0.764 -0.308 -9.213 0.301 -5.205
4 -4.893 -9.700 -11.430 2.320 0.776 -0.289 -9.242 0.458 -4.436
5 -2.501 -5.693 -1.270 -2.942 0.779 -0.284 -4.540 1.153 -1.348
6 -0.125 -7.356 -3.213 -2.024 0.798 -0.253 -5.664 1.692 1.567
7 0.108 -6.465 -1.897 -2.380 0.792 -0.263 -4.733 1.732 1.840
8 0.477 -6.807 -2.346 -2.349 0.776 -0.289 -5.169 1.638 2.114
9 0.831 -7.289 -2.698 -2.183 0.791 -0.264 -5.384 1.905 2.737
10 1.014 -6.912 -2.525 -1.756 0.822 -0.217 -4.749 2.163 3.177
11 2.072 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.485
12 2.409 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.822
13 3.192 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.606
14 3.813 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.226
15 4.165 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.579
16 4.243 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.657
E^0_gap 2.393
E^GW_gap 3.088
DeltaE^GW_gap 0.695
-P-0000 timing point number 206
-P-0000 -cpu time = 62535.81 seconds
-P-0000 -real time = 63146.26 seconds
-P-0000
sigma : loop over k point, treating k point number : 7
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.000 -0.500 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.020047476832672
estimated slope = 1.251455632551980
Omega [eV] SigC [eV]
-15.24819833879691 7.541119580891356
-14.99819833879691 8.086712412647055
-14.74819833879691 6.994034578221247
-14.49819833879691 7.045262265445412
-14.24819833879691 8.214787712925867
-13.99819833879691 8.994034235817075
-13.74819833879691 9.474391625889570
-13.49819833879691 8.998926772298947
-13.24819833879691 9.822545916795017
1 -14.248 -11.092 -17.037 8.215 -3.977 1.251 -20.122 -9.030 -23.278
1 0.000 0.000 0.000 2.303 0.000 0.000 -9.160 -9.160 -9.160
2 -7.869 -8.686 -11.792 3.208 0.707 -0.413 -8.614 0.072 -7.797
2 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.001
3 -5.074 -9.601 -11.421 2.376 0.772 -0.295 -9.171 0.430 -4.645
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -5.074 -9.601 -11.421 2.377 0.772 -0.295 -9.171 0.431 -4.644
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -2.693 -5.567 -1.034 -3.048 0.779 -0.283 -4.410 1.157 -1.536
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 0.033 -7.189 -3.252 -1.592 0.827 -0.209 -5.249 1.941 1.974
6 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
7 0.875 -6.929 -2.767 -2.416 0.758 -0.319 -5.606 1.323 2.198
7 0.000 0.000 0.000 0.013 0.000 0.000 0.010 0.010 0.010
8 1.200 -6.064 -1.072 -2.740 0.767 -0.304 -4.337 1.727 2.927
8 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
9 1.247 -6.658 -1.912 -2.575 0.752 -0.329 -5.025 1.634 2.881
9 0.000 0.000 0.000 0.006 0.000 0.000 0.005 0.005 0.005
10 1.911 -7.434 -2.497 -2.422 0.764 -0.309 -5.513 1.921 3.832
10 0.000 0.000 0.000 -0.002 0.000 0.000 -0.002 -0.002 -0.002
11 1.911 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.325
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475
12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
13 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475
13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
14 3.087 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.501
14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
15 3.182 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.596
15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
16 4.261 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.675
16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
k = 0.000 -0.500 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.248 -11.092 -17.037 8.215 -3.977 1.251 -20.122 -9.030 -23.278
2 -7.869 -8.686 -11.792 3.208 0.707 -0.413 -8.614 0.072 -7.797
3 -5.074 -9.601 -11.421 2.376 0.772 -0.295 -9.171 0.430 -4.645
4 -5.074 -9.601 -11.421 2.377 0.772 -0.295 -9.171 0.431 -4.644
5 -2.693 -5.567 -1.034 -3.048 0.779 -0.283 -4.410 1.157 -1.536
6 0.033 -7.189 -3.252 -1.592 0.827 -0.209 -5.249 1.941 1.974
7 0.875 -6.929 -2.767 -2.416 0.758 -0.319 -5.606 1.323 2.198
8 1.200 -6.064 -1.072 -2.740 0.767 -0.304 -4.337 1.727 2.927
9 1.247 -6.658 -1.912 -2.575 0.752 -0.329 -5.025 1.634 2.881
10 1.911 -7.434 -2.497 -2.422 0.764 -0.309 -5.513 1.921 3.832
11 1.911 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.325
12 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475
13 2.061 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 1.475
14 3.087 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.501
15 3.182 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 2.596
16 4.261 0.000 0.000 -0.618 0.949 -0.054 -0.586 -0.586 3.675
E^0_gap 2.381
E^GW_gap 3.108
DeltaE^GW_gap 0.727
-P-0000 timing point number 207
-P-0000 -cpu time = 72783.15 seconds
-P-0000 -real time = 73492.63 seconds
-P-0000
sigma : loop over k point, treating k point number : 8
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.000 0.333 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.032385838322206
estimated slope = 0.966297229418074
Omega [eV] SigC [eV]
-15.43384061979878 6.717594508039892
-15.18384061979878 9.022331148706511
-14.93384061979878 8.413126422099486
-14.68384061979878 7.207931602064967
-14.43384061979878 7.139683434867069
-14.18384061979878 7.269005995399342
-13.93384061979878 9.313459370845377
-13.68384061979878 9.290478316838533
-13.43384061979878 9.674663669552297
1 -14.434 -10.973 -16.989 7.140 29.671 0.966 22.374 33.347 18.913
1 0.000 0.000 0.000 2.724 0.000 0.000 80.823 80.823 80.823
2 -7.287 -8.835 -11.642 2.966 0.725 -0.379 -8.720 0.116 -7.172
2 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
3 -4.936 -9.732 -11.553 2.369 0.775 -0.291 -9.307 0.426 -4.510
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -4.936 -9.732 -11.553 2.371 0.775 -0.291 -9.306 0.427 -4.509
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -3.002 -5.800 -1.588 -2.727 0.787 -0.271 -4.632 1.168 -1.834
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -0.884 -6.373 -2.164 -2.506 0.780 -0.282 -5.045 1.328 0.445
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 0.665 -6.875 -2.601 -1.834 0.816 -0.225 -4.883 1.992 2.658
7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
8 1.041 -6.184 -1.302 -2.566 0.778 -0.286 -4.383 1.801 2.842
8 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
9 1.045 -7.686 -3.237 -2.162 0.768 -0.302 -5.929 1.758 2.802
9 0.000 0.000 0.000 -0.001 0.000 0.000 0.000 0.000 0.000
10 1.111 -6.943 -2.330 -2.168 0.790 -0.265 -5.010 1.933 3.044
10 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
11 1.111 -6.943 -2.330 -2.127 0.792 -0.262 -4.973 1.970 3.081
11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
12 3.057 -6.591 -1.648 -1.962 0.781 -0.280 -4.262 2.329 5.386
12 0.000 0.000 0.000 -0.005 0.000 0.000 -0.004 -0.004 -0.004
13 3.057 -6.591 -1.648 -1.991 0.779 -0.284 -4.292 2.299 5.356
13 0.000 0.000 0.000 -0.002 0.000 0.000 -0.002 -0.002 -0.002
14 3.304 -6.301 -1.183 -1.585 0.823 -0.215 -3.393 2.908 6.212
14 0.000 0.000 0.000 0.008 0.000 0.000 0.006 0.006 0.006
15 3.628 -5.684 -0.799 -1.849 0.755 -0.325 -3.392 2.291 5.920
15 0.000 0.000 0.000 0.025 0.000 0.000 0.019 0.019 0.019
16 4.106 -5.524 -0.569 -1.468 0.777 -0.286 -2.813 2.710 6.817
16 0.000 0.000 0.000 0.034 0.000 0.000 0.026 0.026 0.026
k = 0.000 0.333 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.434 -10.973 -16.989 7.140 29.671 0.966 22.374 33.347 18.913
2 -7.287 -8.835 -11.642 2.966 0.725 -0.379 -8.720 0.116 -7.172
3 -4.936 -9.732 -11.553 2.369 0.775 -0.291 -9.307 0.426 -4.510
4 -4.936 -9.732 -11.553 2.371 0.775 -0.291 -9.306 0.427 -4.509
5 -3.002 -5.800 -1.588 -2.727 0.787 -0.271 -4.632 1.168 -1.834
6 -0.884 -6.373 -2.164 -2.506 0.780 -0.282 -5.045 1.328 0.445
7 0.665 -6.875 -2.601 -1.834 0.816 -0.225 -4.883 1.992 2.658
8 1.041 -6.184 -1.302 -2.566 0.778 -0.286 -4.383 1.801 2.842
9 1.045 -7.686 -3.237 -2.162 0.768 -0.302 -5.929 1.758 2.802
10 1.111 -6.943 -2.330 -2.168 0.790 -0.265 -5.010 1.933 3.044
11 1.111 -6.943 -2.330 -2.127 0.792 -0.262 -4.973 1.970 3.081
12 3.057 -6.591 -1.648 -1.962 0.781 -0.280 -4.262 2.329 5.386
13 3.057 -6.591 -1.648 -1.991 0.779 -0.284 -4.292 2.299 5.356
14 3.304 -6.301 -1.183 -1.585 0.823 -0.215 -3.393 2.908 6.212
15 3.628 -5.684 -0.799 -1.849 0.755 -0.325 -3.392 2.291 5.920
16 4.106 -5.524 -0.569 -1.468 0.777 -0.286 -2.813 2.710 6.817
E^0_gap 1.933
E^GW_gap 2.675
DeltaE^GW_gap 0.742
-P-0000 timing point number 208
-P-0000 -cpu time = 83417.64 seconds
-P-0000 -real time = 84230.00 seconds
-P-0000
sigma : loop over k point, treating k point number : 9
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.000 0.167 0.000
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
csigme : ik = 17 / 216 done by processor 0
csigme : ik = 18 / 216 done by processor 0
csigme : ik = 19 / 216 done by processor 0
csigme : ik = 20 / 216 done by processor 0
csigme : ik = 21 / 216 done by processor 0
csigme : ik = 22 / 216 done by processor 0
csigme : ik = 23 / 216 done by processor 0
csigme : ik = 24 / 216 done by processor 0
csigme : ik = 25 / 216 done by processor 0
csigme : ik = 26 / 216 done by processor 0
csigme : ik = 27 / 216 done by processor 0
diago_hamilt : diagonalize the QP Hamiltonian
diago_hamilt : hermitianizing the QP Hamiltonian
csigme : WARNING - the values of Re Sig_c are not linear
band index = 1 spin = 1
root mean square = 0.025537913727048
estimated slope = 0.399820168175262
Omega [eV] SigC [eV]
-15.76442297626212 7.037079654289752
-15.51442297626212 8.316292639378712
-15.26442297626212 8.438014859796926
-15.01442297626212 8.612967844699414
-14.76442297626212 7.774108282815010
-14.51442297626212 7.369828902428806
-14.26442297626212 7.064886745857284
-14.01442297626212 9.058355722815200
-13.76442297626212 8.977206764907271
1 -14.764 -10.791 -16.930 7.774 1.666 0.400 -8.067 2.723 -12.041
1 0.000 0.000 0.000 2.296 0.000 0.000 3.826 3.826 3.826
2 -5.835 -9.170 -11.187 2.376 0.761 -0.314 -8.897 0.273 -5.562
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 -4.649 -10.040 -11.887 2.371 0.780 -0.283 -9.631 0.409 -4.240
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4 -4.649 -10.040 -11.887 2.373 0.780 -0.283 -9.630 0.411 -4.239
4 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5 -3.437 -6.005 -2.158 -2.384 0.793 -0.261 -4.845 1.160 -2.276
5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
6 -2.637 -6.459 -2.621 -2.282 0.792 -0.263 -5.227 1.231 -1.406
6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7 -0.427 -7.772 -3.721 -1.915 0.796 -0.256 -6.071 1.702 1.275
7 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.001
8 0.719 -6.592 -1.974 -2.279 0.792 -0.262 -4.739 1.853 2.572
8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
9 0.719 -6.592 -1.974 -2.267 0.793 -0.261 -4.728 1.864 2.583
9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
10 0.791 -6.328 -1.602 -2.371 0.790 -0.266 -4.468 1.860 2.651
10 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000
11 1.955 -6.346 -1.629 -2.024 0.795 -0.257 -4.204 2.142 4.097
11 0.000 0.000 0.000 -0.001 0.000 0.000 -0.001 -0.001 -0.001
12 3.188 -5.690 -0.677 -1.947 0.785 -0.274 -3.283 2.407 5.595
12 0.000 0.000 0.000 0.009 0.000 0.000 0.007 0.007 0.007
13 3.188 -5.690 -0.677 -1.942 0.786 -0.272 -3.276 2.414 5.602
13 0.000 0.000 0.000 0.008 0.000 0.000 0.006 0.006 0.006
14 3.672 -6.043 -0.794 -1.790 0.804 -0.244 -3.262 2.781 6.453
14 0.000 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.001
15 4.179 -5.922 -0.987 -1.830 0.757 -0.322 -3.572 2.350 6.529
15 0.000 0.000 0.000 0.007 0.000 0.000 0.005 0.005 0.005
16 4.179 -5.922 -0.987 -1.824 0.757 -0.322 -3.568 2.354 6.533
16 0.000 0.000 0.000 0.010 0.000 0.000 0.007 0.007 0.007
k = 0.000 0.167 0.000
Band E0 <VxcLDA> SigX SigC(E0) Z dSigC/dE Sig(E) E-E0 E
1 -14.764 -10.791 -16.930 7.774 1.666 0.400 -8.067 2.723 -12.041
2 -5.835 -9.170 -11.187 2.376 0.761 -0.314 -8.897 0.273 -5.562
3 -4.649 -10.040 -11.887 2.371 0.780 -0.283 -9.631 0.409 -4.240
4 -4.649 -10.040 -11.887 2.373 0.780 -0.283 -9.630 0.411 -4.239
5 -3.437 -6.005 -2.158 -2.384 0.793 -0.261 -4.845 1.160 -2.276
6 -2.637 -6.459 -2.621 -2.282 0.792 -0.263 -5.227 1.231 -1.406
7 -0.427 -7.772 -3.721 -1.915 0.796 -0.256 -6.071 1.702 1.275
8 0.719 -6.592 -1.974 -2.279 0.792 -0.262 -4.739 1.853 2.572
9 0.719 -6.592 -1.974 -2.267 0.793 -0.261 -4.728 1.864 2.583
10 0.791 -6.328 -1.602 -2.371 0.790 -0.266 -4.468 1.860 2.651
11 1.955 -6.346 -1.629 -2.024 0.795 -0.257 -4.204 2.142 4.097
12 3.188 -5.690 -0.677 -1.947 0.785 -0.274 -3.283 2.407 5.595
13 3.188 -5.690 -0.677 -1.942 0.786 -0.272 -3.276 2.414 5.602
14 3.672 -6.043 -0.794 -1.790 0.804 -0.244 -3.262 2.781 6.453
15 4.179 -5.922 -0.987 -1.830 0.757 -0.322 -3.572 2.350 6.529
16 4.179 -5.922 -0.987 -1.824 0.757 -0.322 -3.568 2.354 6.533
E^0_gap 1.212
E^GW_gap 1.962
DeltaE^GW_gap 0.750
-P-0000 timing point number 209
-P-0000 -cpu time = 93992.11 seconds
-P-0000 -real time = 94891.35 seconds
-P-0000
sigma : loop over k point, treating k point number : 10
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: exit
P sigma : treating k-point 1 and spin 1 by node 0
P sigma : treating k-point 2 and spin 1 by node 0
P sigma : treating k-point 3 and spin 1 by node 0
P sigma : treating k-point 4 and spin 1 by node 0
P sigma : treating k-point 5 and spin 1 by node 0
P sigma : treating k-point 6 and spin 1 by node 0
P sigma : treating k-point 7 and spin 1 by node 0
P sigma : treating k-point 8 and spin 1 by node 0
P sigma : treating k-point 9 and spin 1 by node 0
P sigma : treating k-point 10 and spin 1 by node 0
P sigma : treating k-point 11 and spin 1 by node 0
P sigma : treating k-point 12 and spin 1 by node 0
P sigma : treating k-point 13 and spin 1 by node 0
P sigma : treating k-point 14 and spin 1 by node 0
P sigma : treating k-point 15 and spin 1 by node 0
P sigma : treating k-point 16 and spin 1 by node 0
P sigma : treating k-point 17 and spin 1 by node 0
P sigma : treating k-point 18 and spin 1 by node 0
P sigma : treating k-point 19 and spin 1 by node 0
P sigma : treating k-point 20 and spin 1 by node 0
P sigma : treating k-point 21 and spin 1 by node 0
P sigma : treating k-point 22 and spin 1 by node 0
P sigma : treating k-point 23 and spin 1 by node 0
P sigma : treating k-point 24 and spin 1 by node 0
P sigma : treating k-point 25 and spin 1 by node 0
P sigma : treating k-point 26 and spin 1 by node 0
P sigma : treating k-point 27 and spin 1 by node 0
P sigma : treating k-point 28 and spin 1 by node 1
P sigma : treating k-point 29 and spin 1 by node 1
P sigma : treating k-point 30 and spin 1 by node 1
P sigma : treating k-point 31 and spin 1 by node 1
P sigma : treating k-point 32 and spin 1 by node 1
P sigma : treating k-point 33 and spin 1 by node 1
P sigma : treating k-point 34 and spin 1 by node 1
P sigma : treating k-point 35 and spin 1 by node 1
P sigma : treating k-point 36 and spin 1 by node 1
P sigma : treating k-point 37 and spin 1 by node 1
P sigma : treating k-point 38 and spin 1 by node 1
P sigma : treating k-point 39 and spin 1 by node 1
P sigma : treating k-point 40 and spin 1 by node 1
P sigma : treating k-point 41 and spin 1 by node 1
P sigma : treating k-point 42 and spin 1 by node 1
P sigma : treating k-point 43 and spin 1 by node 1
P sigma : treating k-point 44 and spin 1 by node 1
P sigma : treating k-point 45 and spin 1 by node 1
P sigma : treating k-point 46 and spin 1 by node 1
P sigma : treating k-point 47 and spin 1 by node 1
P sigma : treating k-point 48 and spin 1 by node 1
P sigma : treating k-point 49 and spin 1 by node 1
P sigma : treating k-point 50 and spin 1 by node 1
P sigma : treating k-point 51 and spin 1 by node 1
P sigma : treating k-point 52 and spin 1 by node 1
P sigma : treating k-point 53 and spin 1 by node 1
P sigma : treating k-point 54 and spin 1 by node 1
P sigma : treating k-point 55 and spin 1 by node 2
P sigma : treating k-point 56 and spin 1 by node 2
P sigma : treating k-point 57 and spin 1 by node 2
P sigma : treating k-point 58 and spin 1 by node 2
P sigma : treating k-point 59 and spin 1 by node 2
P sigma : treating k-point 60 and spin 1 by node 2
P sigma : treating k-point 61 and spin 1 by node 2
P sigma : treating k-point 62 and spin 1 by node 2
P sigma : treating k-point 63 and spin 1 by node 2
P sigma : treating k-point 64 and spin 1 by node 2
P sigma : treating k-point 65 and spin 1 by node 2
P sigma : treating k-point 66 and spin 1 by node 2
P sigma : treating k-point 67 and spin 1 by node 2
P sigma : treating k-point 68 and spin 1 by node 2
P sigma : treating k-point 69 and spin 1 by node 2
P sigma : treating k-point 70 and spin 1 by node 2
P sigma : treating k-point 71 and spin 1 by node 2
P sigma : treating k-point 72 and spin 1 by node 2
P sigma : treating k-point 73 and spin 1 by node 2
P sigma : treating k-point 74 and spin 1 by node 2
P sigma : treating k-point 75 and spin 1 by node 2
P sigma : treating k-point 76 and spin 1 by node 2
P sigma : treating k-point 77 and spin 1 by node 2
P sigma : treating k-point 78 and spin 1 by node 2
P sigma : treating k-point 79 and spin 1 by node 2
P sigma : treating k-point 80 and spin 1 by node 2
P sigma : treating k-point 81 and spin 1 by node 2
P sigma : treating k-point 82 and spin 1 by node 3
P sigma : treating k-point 83 and spin 1 by node 3
P sigma : treating k-point 84 and spin 1 by node 3
P sigma : treating k-point 85 and spin 1 by node 3
P sigma : treating k-point 86 and spin 1 by node 3
P sigma : treating k-point 87 and spin 1 by node 3
P sigma : treating k-point 88 and spin 1 by node 3
P sigma : treating k-point 89 and spin 1 by node 3
P sigma : treating k-point 90 and spin 1 by node 3
P sigma : treating k-point 91 and spin 1 by node 3
P sigma : treating k-point 92 and spin 1 by node 3
P sigma : treating k-point 93 and spin 1 by node 3
P sigma : treating k-point 94 and spin 1 by node 3
P sigma : treating k-point 95 and spin 1 by node 3
P sigma : treating k-point 96 and spin 1 by node 3
P sigma : treating k-point 97 and spin 1 by node 3
P sigma : treating k-point 98 and spin 1 by node 3
P sigma : treating k-point 99 and spin 1 by node 3
P sigma : treating k-point 100 and spin 1 by node 3
P sigma : treating k-point 101 and spin 1 by node 3
P sigma : treating k-point 102 and spin 1 by node 3
P sigma : treating k-point 103 and spin 1 by node 3
P sigma : treating k-point 104 and spin 1 by node 3
P sigma : treating k-point 105 and spin 1 by node 3
P sigma : treating k-point 106 and spin 1 by node 3
P sigma : treating k-point 107 and spin 1 by node 3
P sigma : treating k-point 108 and spin 1 by node 3
P sigma : treating k-point 109 and spin 1 by node 4
P sigma : treating k-point 110 and spin 1 by node 4
P sigma : treating k-point 111 and spin 1 by node 4
P sigma : treating k-point 112 and spin 1 by node 4
P sigma : treating k-point 113 and spin 1 by node 4
P sigma : treating k-point 114 and spin 1 by node 4
P sigma : treating k-point 115 and spin 1 by node 4
P sigma : treating k-point 116 and spin 1 by node 4
P sigma : treating k-point 117 and spin 1 by node 4
P sigma : treating k-point 118 and spin 1 by node 4
P sigma : treating k-point 119 and spin 1 by node 4
P sigma : treating k-point 120 and spin 1 by node 4
P sigma : treating k-point 121 and spin 1 by node 4
P sigma : treating k-point 122 and spin 1 by node 4
P sigma : treating k-point 123 and spin 1 by node 4
P sigma : treating k-point 124 and spin 1 by node 4
P sigma : treating k-point 125 and spin 1 by node 4
P sigma : treating k-point 126 and spin 1 by node 4
P sigma : treating k-point 127 and spin 1 by node 4
P sigma : treating k-point 128 and spin 1 by node 4
P sigma : treating k-point 129 and spin 1 by node 4
P sigma : treating k-point 130 and spin 1 by node 4
P sigma : treating k-point 131 and spin 1 by node 4
P sigma : treating k-point 132 and spin 1 by node 4
P sigma : treating k-point 133 and spin 1 by node 4
P sigma : treating k-point 134 and spin 1 by node 4
P sigma : treating k-point 135 and spin 1 by node 4
P sigma : treating k-point 136 and spin 1 by node 5
P sigma : treating k-point 137 and spin 1 by node 5
P sigma : treating k-point 138 and spin 1 by node 5
P sigma : treating k-point 139 and spin 1 by node 5
P sigma : treating k-point 140 and spin 1 by node 5
P sigma : treating k-point 141 and spin 1 by node 5
P sigma : treating k-point 142 and spin 1 by node 5
P sigma : treating k-point 143 and spin 1 by node 5
P sigma : treating k-point 144 and spin 1 by node 5
P sigma : treating k-point 145 and spin 1 by node 5
P sigma : treating k-point 146 and spin 1 by node 5
P sigma : treating k-point 147 and spin 1 by node 5
P sigma : treating k-point 148 and spin 1 by node 5
P sigma : treating k-point 149 and spin 1 by node 5
P sigma : treating k-point 150 and spin 1 by node 5
P sigma : treating k-point 151 and spin 1 by node 5
P sigma : treating k-point 152 and spin 1 by node 5
P sigma : treating k-point 153 and spin 1 by node 5
P sigma : treating k-point 154 and spin 1 by node 5
P sigma : treating k-point 155 and spin 1 by node 5
P sigma : treating k-point 156 and spin 1 by node 5
P sigma : treating k-point 157 and spin 1 by node 5
P sigma : treating k-point 158 and spin 1 by node 5
P sigma : treating k-point 159 and spin 1 by node 5
P sigma : treating k-point 160 and spin 1 by node 5
P sigma : treating k-point 161 and spin 1 by node 5
P sigma : treating k-point 162 and spin 1 by node 5
P sigma : treating k-point 163 and spin 1 by node 6
P sigma : treating k-point 164 and spin 1 by node 6
P sigma : treating k-point 165 and spin 1 by node 6
P sigma : treating k-point 166 and spin 1 by node 6
P sigma : treating k-point 167 and spin 1 by node 6
P sigma : treating k-point 168 and spin 1 by node 6
P sigma : treating k-point 169 and spin 1 by node 6
P sigma : treating k-point 170 and spin 1 by node 6
P sigma : treating k-point 171 and spin 1 by node 6
P sigma : treating k-point 172 and spin 1 by node 6
P sigma : treating k-point 173 and spin 1 by node 6
P sigma : treating k-point 174 and spin 1 by node 6
P sigma : treating k-point 175 and spin 1 by node 6
P sigma : treating k-point 176 and spin 1 by node 6
P sigma : treating k-point 177 and spin 1 by node 6
P sigma : treating k-point 178 and spin 1 by node 6
P sigma : treating k-point 179 and spin 1 by node 6
P sigma : treating k-point 180 and spin 1 by node 6
P sigma : treating k-point 181 and spin 1 by node 6
P sigma : treating k-point 182 and spin 1 by node 6
P sigma : treating k-point 183 and spin 1 by node 6
P sigma : treating k-point 184 and spin 1 by node 6
P sigma : treating k-point 185 and spin 1 by node 6
P sigma : treating k-point 186 and spin 1 by node 6
P sigma : treating k-point 187 and spin 1 by node 6
P sigma : treating k-point 188 and spin 1 by node 6
P sigma : treating k-point 189 and spin 1 by node 6
P sigma : treating k-point 190 and spin 1 by node 7
P sigma : treating k-point 191 and spin 1 by node 7
P sigma : treating k-point 192 and spin 1 by node 7
P sigma : treating k-point 193 and spin 1 by node 7
P sigma : treating k-point 194 and spin 1 by node 7
P sigma : treating k-point 195 and spin 1 by node 7
P sigma : treating k-point 196 and spin 1 by node 7
P sigma : treating k-point 197 and spin 1 by node 7
P sigma : treating k-point 198 and spin 1 by node 7
P sigma : treating k-point 199 and spin 1 by node 7
P sigma : treating k-point 200 and spin 1 by node 7
P sigma : treating k-point 201 and spin 1 by node 7
P sigma : treating k-point 202 and spin 1 by node 7
P sigma : treating k-point 203 and spin 1 by node 7
P sigma : treating k-point 204 and spin 1 by node 7
P sigma : treating k-point 205 and spin 1 by node 7
P sigma : treating k-point 206 and spin 1 by node 7
P sigma : treating k-point 207 and spin 1 by node 7
P sigma : treating k-point 208 and spin 1 by node 7
P sigma : treating k-point 209 and spin 1 by node 7
P sigma : treating k-point 210 and spin 1 by node 7
P sigma : treating k-point 211 and spin 1 by node 7
P sigma : treating k-point 212 and spin 1 by node 7
P sigma : treating k-point 213 and spin 1 by node 7
P sigma : treating k-point 214 and spin 1 by node 7
P sigma : treating k-point 215 and spin 1 by node 7
P sigma : treating k-point 216 and spin 1 by node 7
standard GW with PPM
Perturbative Calculation
Calculating <nk|Sigma|nk> at k = 0.167 0.167 0.167
bands n = from 1 to 16
calculation status ( 216 to be completed):
csigme : ik = 1 / 216 done by processor 0
csigme : ik = 2 / 216 done by processor 0
csigme : ik = 3 / 216 done by processor 0
csigme : ik = 4 / 216 done by processor 0
csigme : ik = 5 / 216 done by processor 0
csigme : ik = 6 / 216 done by processor 0
csigme : ik = 7 / 216 done by processor 0
csigme : ik = 8 / 216 done by processor 0
csigme : ik = 9 / 216 done by processor 0
csigme : ik = 10 / 216 done by processor 0
csigme : ik = 11 / 216 done by processor 0
csigme : ik = 12 / 216 done by processor 0
csigme : ik = 13 / 216 done by processor 0
csigme : ik = 14 / 216 done by processor 0
csigme : ik = 15 / 216 done by processor 0
csigme : ik = 16 / 216 done by processor 0
- [abinit-forum] GW calculation, mailoliver, 05/05/2008
- Re: [abinit-forum] GW calculation, Matteo Giantomassi, 05/05/2008
- Re:Re: [abinit-forum] GW calculation, mailoliver, 05/07/2008
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