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[abinit-forum] Need helps on GW calculation: A crash within screening main loop
Chronological Thread
- From: Thanusit Burinprakhon <thanusit@kku.ac.th>
- To: forum@abinit.org
- Subject: [abinit-forum] Need helps on GW calculation: A crash within screening main loop
- Date: Tue, 13 May 2008 07:47:35 +0200
Dear All
I've tried to perform the GW corrections for GaP band structue. My
platform is Fedora 8.0 running on an Intel Core 2 Quad CPU with 4 Gb
of RAM. I firstly calculated the ground state density and the KSS file,
by using the parallelized Abinit 5.4.4(MPI version, prepared for a
x86_64_linux) and the Abinit 5.4.4(sequential version, prepared for a x86_64_
linux), respectively. Both calculations were successfully completed.
However, when I carried out the screening calculation using the parallelized
Abinit 5.4.4 with the pre-calculated KSS file, the program seemed to
terminate
within the screening main loop at the start of the "cchi0" calculation of the
q point number 2. The error message at the end of the log file is as follows.
The
complete input and log files are listed below. (sorry if it's very lengthy)
....................................................................
cchi0 : enter
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
cchi0 : reading wavefunctions from file
trying to allocate wavefunctions in real space
allocated
cchi0 : real space wavefunctions are now in memory
calculation status ( 865 to be completed) :
cchi0 : ik = 1 / 865 is = 1 done by processor 0
cchi0 : ik = 2 / 865 is = 1 done by processor 0
cchi0 : ERROR -
kp=k-q-G0 not found
ik = 3 k = 0.166667 0.166667 0.083333
k-q = 0.250000 0.333333 0.083333
-P-0000
-P-0000 leave_new : decision taken to exit ...
......................................................................
Could anyone suggest how to get round this problem, please?
I also have another question on the screening issue. Does Abinit need the
k-point
grid for screening calculations?
Thank you very much.
Kind Regards,
Thanusit Burinprakhon
My Input file: (the commented lines are those used for the
GS and KSS calculations performed separatedly)
------------------------------------------------------------------------------------------------------
#Input used to calculate GS density
#kptopt1 1
#nshiftk1 4
#shiftk1 0.5 0.5 0.5
# 0.5 0.0 0.0
# 0.0 0.5 0.0
# 0.0 0.0 0.5
#ngkpt1 6 6 6
#nband1 15
#prtden1 1
#iscf1 5
#toldfe1 1.0d-8
------------------------------------------------------------------------------------------------------------
## calculation of kss file
#kptopt 0
#nkpt 29
#kpt 0.00000000E+00 0.00000000E+00 0.00000000E+00
# -8.33333333E-02 -1.66666667E-01 0.00000000E+00
# -8.33333333E-02 -3.33333333E-01 0.00000000E+00
# -1.66666667E-01 -2.50000000E-01 0.00000000E+00
# -8.33333333E-02 -2.50000000E-01 8.33333333E-02
# -8.33333333E-02 5.00000000E-01 0.00000000E+00
# -1.66666667E-01 -4.16666667E-01 0.00000000E+00
# -8.33333333E-02 -4.16666667E-01 8.33333333E-02
# -2.50000000E-01 -3.33333333E-01 0.00000000E+00
# -1.66666667E-01 -3.33333333E-01 8.33333333E-02
# -8.33333333E-02 -3.33333333E-01 1.66666667E-01
# -8.33333333E-02 3.33333333E-01 0.00000000E+00
# -1.66666667E-01 4.16666667E-01 0.00000000E+00
# -2.50000000E-01 5.00000000E-01 0.00000000E+00
# -1.66666667E-01 5.00000000E-01 8.33333333E-02
# -3.33333333E-01 -4.16666667E-01 0.00000000E+00
# -2.50000000E-01 -4.16666667E-01 8.33333333E-02
# -1.66666667E-01 -4.16666667E-01 1.66666667E-01
# -8.33333333E-02 -4.16666667E-01 2.50000000E-01
# -8.33333333E-02 1.66666667E-01 0.00000000E+00
# -1.66666667E-01 2.50000000E-01 0.00000000E+00
# -2.50000000E-01 3.33333333E-01 0.00000000E+00
# -3.33333333E-01 4.16666667E-01 0.00000000E+00
# -4.16666667E-01 5.00000000E-01 0.00000000E+00
# -3.33333333E-01 5.00000000E-01 8.33333333E-02
# -2.50000000E-01 5.00000000E-01 1.66666667E-01
# -8.33333333E-02 0.00000000E+00 0.00000000E+00
# -2.50000000E-01 0.00000000E+00 0.00000000E+00
# -4.16666667E-01 0.00000000E+00 0.00000000E+00
#istwfk 29*1
#iscf -2
#getden 1
#tolwfr 1.0d-10
#nband 310
#nbandkss 300
#nbdbuf 10
#kssform 3
------------------------------------------------------------------------------------------------------------
## Input for the Calculation of the screening
# set off-core calculation
mkmem 0
mkqmem 0
mk1mem 0
inclvkb 0
optdriver 3
getkss 1
nband 100
ecutwfn 20.0
ecuteps 20.0
ppmfrq 16.7 eV
#Common input parameters
ecut 100
acell 3*10.2343
rprim 0.0 0.5 0.5
0.5 0.0 0.5
0.5 0.5 0.0
ntypat 2
znucl 15 31
natom 2
typat 1 2
xred
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2.5000000000E-01 2.5000000000E-01 2.5000000000E-01
toldfe 1.0d-8
nstep 100
diemac 12.0
nsym 0
symmorphi 0
ixc 7
prtvol 1
--------------------------------------------------------------------------------------------------------------
Log file:
-P-0001 leave_test : synchronization done...
-P-0002 leave_test : synchronization done...
-P-0003 leave_test : synchronization done...
ABINIT
Give name for formatted input file:
GaP_LDA_gwa_conv-1-2.in
Give name for formatted output file:
GaP_LDA_gwa_conv-1-2.out
Give root name for generic input files:
GaP_LDA_gwa_conv-1-2i
Give root name for generic output files:
GaP_LDA_gwa_conv-1-2o
Give root name for generic temporary files:
GaP_LDA_gwa_conv-1-1\2
-P-0000 leave_test : synchronization done...
.Version 5.4.4 of ABINIT
.(MPI version, prepared for a x86_64_linux_UNKNOWN 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 : Thu 8 May 2008.
- input file -> GaP_LDA_gwa_conv-1-2.in
- output file -> GaP_LDA_gwa_conv-1-2.out
- root for input files -> GaP_LDA_gwa_conv-1-2i
- root for output files -> GaP_LDA_gwa_conv-1-2o
instrng : 118 lines of input have been read
iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type 1 , psp file is
/home/thanusit/Abinit_x64/psp/15-P.LDA.fhi
read the values zionpsp= 5.0 , pspcod= 6 , lmax= 3
iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type 2 , psp file is
/home/thanusit/Abinit_x64/psp/31-Ga-3d.LDA.fhi
read the values zionpsp= 13.0 , pspcod= 6 , lmax= 3
iofn2 : deduce mpsang = 4, n1xccc = 0.
-P-0000 leave_test : synchronization done...
invars1m : enter jdtset= 0
ingeo : takes atomic coordinates from input array xred
symspgr : the symmetry operation no. 1 is the identity
symaxes : the symmetry operation no. 2 is a 2-axis
symaxes : the symmetry operation no. 3 is a 2-axis
symaxes : the symmetry operation no. 4 is a 2-axis
symplanes : the symmetry operation no. 5 is a mirror plane
symspgr : the symmetry operation no. 6 is a -4 axis
symplanes : the symmetry operation no. 7 is a mirror plane
symspgr : the symmetry operation no. 8 is a -4 axis
symaxes : the symmetry operation no. 9 is a 3-axis
symaxes : the symmetry operation no. 10 is a 3-axis
symaxes : the symmetry operation no. 11 is a 3-axis
symaxes : the symmetry operation no. 12 is a 3-axis
symplanes : the symmetry operation no. 13 is a mirror plane
symspgr : the symmetry operation no. 14 is a -4 axis
symspgr : the symmetry operation no. 15 is a -4 axis
symplanes : the symmetry operation no. 16 is a mirror plane
symaxes : the symmetry operation no. 17 is a 3-axis
symaxes : the symmetry operation no. 18 is a 3-axis
symaxes : the symmetry operation no. 19 is a 3-axis
symaxes : the symmetry operation no. 20 is a 3-axis
symplanes : the symmetry operation no. 21 is a mirror plane
symplanes : the symmetry operation no. 22 is a mirror plane
symspgr : the symmetry operation no. 23 is a -4 axis
symspgr : the symmetry operation no. 24 is a -4 axis
symspgr : the symmetry operation no. 25 is a pure translation
symaxes : the symmetry operation no. 26 is a 2_1-axis
symaxes : the symmetry operation no. 27 is a 2_1-axis
symaxes : the symmetry operation no. 28 is a 2-axis
symplanes : the symmetry operation no. 29 is a g plane
symspgr : the symmetry operation no. 30 is a -4 axis
symplanes : the symmetry operation no. 31 is a g plane
symspgr : the symmetry operation no. 32 is a -4 axis
symaxes : the symmetry operation no. 33 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 34 is a 3-axis
symaxes : the symmetry operation no. 35 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 36 is a 3-axis
symplanes : the symmetry operation no. 37 is a g plane
symspgr : the symmetry operation no. 38 is a -4 axis
symspgr : the symmetry operation no. 39 is a -4 axis
symplanes : the symmetry operation no. 40 is a mirror plane
symaxes : the symmetry operation no. 41 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 42 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 43 is a 3-axis
symaxes : the symmetry operation no. 44 is a 3-axis
symplanes : the symmetry operation no. 45 is a g plane
symplanes : the symmetry operation no. 46 is a g plane
symspgr : the symmetry operation no. 47 is a -4 axis
symspgr : the symmetry operation no. 48 is a -4 axis
symspgr : the symmetry operation no. 49 is a pure translation
symaxes : the symmetry operation no. 50 is a 2-axis
symaxes : the symmetry operation no. 51 is a 2_1-axis
symaxes : the symmetry operation no. 52 is a 2_1-axis
symplanes : the symmetry operation no. 53 is a g plane
symspgr : the symmetry operation no. 54 is a -4 axis
symplanes : the symmetry operation no. 55 is a g plane
symspgr : the symmetry operation no. 56 is a -4 axis
symaxes : the symmetry operation no. 57 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 58 is a 3-axis
symaxes : the symmetry operation no. 59 is a 3-axis
symaxes : the symmetry operation no. 60 is a 3, 3_1 or 3_2 axis
symplanes : the symmetry operation no. 61 is a g plane
symspgr : the symmetry operation no. 62 is a -4 axis
symspgr : the symmetry operation no. 63 is a -4 axis
symplanes : the symmetry operation no. 64 is a g plane
symaxes : the symmetry operation no. 65 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 66 is a 3-axis
symaxes : the symmetry operation no. 67 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 68 is a 3-axis
symplanes : the symmetry operation no. 69 is a g plane
symplanes : the symmetry operation no. 70 is a mirror plane
symspgr : the symmetry operation no. 71 is a -4 axis
symspgr : the symmetry operation no. 72 is a -4 axis
symspgr : the symmetry operation no. 73 is a pure translation
symaxes : the symmetry operation no. 74 is a 2_1-axis
symaxes : the symmetry operation no. 75 is a 2-axis
symaxes : the symmetry operation no. 76 is a 2_1-axis
symplanes : the symmetry operation no. 77 is a g plane
symspgr : the symmetry operation no. 78 is a -4 axis
symplanes : the symmetry operation no. 79 is a mirror plane
symspgr : the symmetry operation no. 80 is a -4 axis
symaxes : the symmetry operation no. 81 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 82 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 83 is a 3-axis
symaxes : the symmetry operation no. 84 is a 3-axis
symplanes : the symmetry operation no. 85 is a g plane
symspgr : the symmetry operation no. 86 is a -4 axis
symspgr : the symmetry operation no. 87 is a -4 axis
symplanes : the symmetry operation no. 88 is a g plane
symaxes : the symmetry operation no. 89 is a 3, 3_1 or 3_2 axis
symaxes : the symmetry operation no. 90 is a 3-axis
symaxes : the symmetry operation no. 91 is a 3-axis
symaxes : the symmetry operation no. 92 is a 3, 3_1 or 3_2 axis
symplanes : the symmetry operation no. 93 is a g plane
symplanes : the symmetry operation no. 94 is a g plane
symspgr : the symmetry operation no. 95 is a -4 axis
symspgr : the symmetry operation no. 96 is a -4 axis
symspgr : spgroup= 216 F-4 3 m (=Td^2)
inkpts: Sum of 1 k point weights is 1.000000
inkpts : istwfk preprocessed, gives following first values (max. 6): 2
distrb2: enter
mpi_enreg%parareel= 0
mpi_enreg%paralbd= 0
mpi_enreg%paral_compil_respfn= 0
distrb2: WARNING -
nproc= 4 >= nkpt= 1* nsppol= 1
The number of processors is larger than nkpt. This is a waste.
distrb2: exit
Symmetries : space group F-4 3 m (#216); Bravais cF (face-center cubic)
inkpts: Sum of 1 k point weights is 1.000000
inkpts : istwfk preprocessed, gives following first values (max. 6): 2
chkneu : initialized the occupation numbers for occopt= 1
spin-unpolarized case :
2.00 2.00 2.00 2.00 2.00 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 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 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= 1.000000E+02 best grid ngfft= 72 72 72
max ecut= 1.221205E+02
getng: value of mgfft= 72 and nfft= 373248
getng: values of ngfft(4),ngfft(5),ngfft(6) 73 73 72
getmpw: optimal value of mpw= 6338
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 of the present run
intxc = 0 ionmov = 0 iscf = 7 xclevel =
1
lmnmax = 4 lnmax = 4 mband = 100 mffmem =
1
P mgfft = 72 mkmem = 0 mpssoang= 4 mpw =
6338
mqgrid = 3001 natom = 2 nfft = 373248 nkpt =
1
nloalg = 4 nspden = 1 nspinor = 1 nsppol =
1
nsym = 24 n1xccc = 0 ntypat = 2 occopt =
1
================================================================================
P This job should need less than 113.211 Mbytes of memory.
Rough estimation (10% accuracy) of disk space for files :
WF disk file : 9.673 Mbytes ; DEN or POT disk file : 2.850 Mbytes.
mkmem==0 => use of 2 WF temporary disk files
================================================================================
Biggest array : f_fftgr(disk), with 45.5645 MBytes.
-P-0000 leave_test : synchronization done...
memana : allocated an array of 45.565 Mbytes, for testing purposes.
memana : allocated 113.211 Mbytes, for testing purposes.
The job will continue.
-outvars: echo values of preprocessed input variables --------
acell 1.0234300000E+01 1.0234300000E+01 1.0234300000E+01 Bohr
amu 3.09737620E+01 6.97230000E+01
diemac 1.20000000E+01
ecut 1.00000000E+02 Hartree
ecuteps 2.00000000E+01 Hartree
ecutwfn 2.00000000E+01 Hartree
getkss 1
inclvkb 0
istwfk 2
ixc 7
P mkmem 0
natom 2
nband 100
ngfft 72 72 72
nkpt 1
nstep 100
nsym 24
ntypat 2
occ 2.000000 2.000000 2.000000 2.000000 2.000000 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
optdriver 3
ppmfrq 6.13713720E-01 Hartree
prtvol 1
rprim 0.0000000000E+00 5.0000000000E-01 5.0000000000E-01
5.0000000000E-01 0.0000000000E+00 5.0000000000E-01
5.0000000000E-01 5.0000000000E-01 0.0000000000E+00
spgroup 216
symmorphi 0
symrel 1 0 0 0 1 0 0 0 1 0 -1 1 0 -1 0 1 -1 0
-1 0 0 -1 0 1 -1 1 0 0 1 -1 1 0 -1 0 0 -1
-1 0 0 -1 1 0 -1 0 1 0 -1 1 1 -1 0 0 -1 0
1 0 0 0 0 1 0 1 0 0 1 -1 0 0 -1 1 0 -1
-1 0 1 -1 1 0 -1 0 0 0 -1 0 1 -1 0 0 -1 1
1 0 -1 0 0 -1 0 1 -1 0 1 0 0 0 1 1 0 0
1 0 -1 0 1 -1 0 0 -1 0 -1 0 0 -1 1 1 -1 0
-1 0 1 -1 0 0 -1 1 0 0 1 0 1 0 0 0 0 1
0 0 -1 0 1 -1 1 0 -1 1 -1 0 0 -1 1 0 -1 0
0 0 1 1 0 0 0 1 0 -1 1 0 -1 0 0 -1 0 1
0 0 1 0 1 0 1 0 0 1 -1 0 0 -1 0 0 -1 1
0 0 -1 1 0 -1 0 1 -1 -1 1 0 -1 0 1 -1 0 0
toldfe 1.00000000E-08 Hartree
typat 1 2
xangst 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
1.3539395821E+00 1.3539395821E+00 1.3539395821E+00
xcart 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2.5585750000E+00 2.5585750000E+00 2.5585750000E+00
xred 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2.5000000000E-01 2.5000000000E-01 2.5000000000E-01
znucl 15.00000 31.00000
================================================================================
-P-0000 leave_test : synchronization done...
chkinp: machine precision is 2.2204460492503131E-16
chkinp: Checking input parameters for consistency.
-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 kberry the actual size (####) of the index
(####)
differs from its standard size (####)
dtsetcopy : allocated densty= T
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 shiftk the actual size (####) of the index
(####)
differs from its standard size (####)
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= 2.6798744E+02 bohr^3
Angles (23,13,12)= 6.00000000E+01 6.00000000E+01 6.00000000E+01 degrees
setshells : ecut_trial= 20.00
setshells: WARNING -
The value ecutwfn= 0.200000E+02 given in the input file leads to
the same values for nshwfn and npwwfn as ecutwfn= 0.195996E+02
This value will be adopted for the calculation.
setshells : ecut_trial= 20.00
setshells: WARNING -
The value ecuteps= 0.200000E+02 given in the input file leads to
the same values for nsheps and npweps as ecuteps= 0.195996E+02
This value will be adopted for the calculation.
testlda : testing Kohn-Sham structure file GaP_LDA_gwa_conv-1-2i_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 14859
number of k-points 29
number of bands 300
number of spin polarisations 1
-----------------------------------------------
-P-0000
-P-0000 screening : maximum band index for partially occupied states nbvw =
0 nbcw = 100
-P-0000
initmpi_gw : loop on k-points and spin done in parallel
rdkss : reading Kohn-Sham structure file GaP_LDA_gwa_conv-1-2i_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 = 8990 0 7 2
ngfft(1:3),nkpt = 72 72 72 29
nspden,nspinor = 1 1
nsppol,nsym,npsp,ntypat = 1 24 2 2
occopt,pertcase,usepaw = 1 0 0
ecut,ecutdg,ecutsm = 1.0000000000E+02 1.0000000000E+02
0.0000000000E+00
ecut_eff = 1.0000000000E+02
qptn(1:3) = 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00
rprimd(1:3,1) = 0.0000000000E+00 5.1171500000E+00
5.1171500000E+00
rprimd(1:3,2) = 5.1171500000E+00 0.0000000000E+00
5.1171500000E+00
rprimd(1:3,3) = 5.1171500000E+00 5.1171500000E+00
0.0000000000E+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 1 1 1 1
1 1 1 1 1
nband = 310 310 310 310 310 310 310 310 310 310 310 310
310 310 310 310 310 310 310 310 310 310 310 310
310 310 310 310 310
npwarr=12675128191280212806128031281612797128051280912800
12791128031282012805128131279512789128131279412796
127881279212778128031278712780127951279812797
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
symrel=
1 0 0 0 1 0 0 0 1 0 -1 1 0 -1 0 1
-1
0
-1 0 0 -1 0 1 -1 1 0 0 1 -1 1 0 -1 0
0
-1
-1 0 0 -1 1 0 -1 0 1 0 -1 1 1 -1 0 0
-1
0
1 0 0 0 0 1 0 1 0 0 1 -1 0 0 -1 1
0
-1
-1 0 1 -1 1 0 -1 0 0 0 -1 0 1 -1 0 0
-1
1
1 0 -1 0 0 -1 0 1 -1 0 1 0 0 0 1 1
0
0
1 0 -1 0 1 -1 0 0 -1 0 -1 0 0 -1 1 1
-1
0
-1 0 1 -1 0 0 -1 1 0 0 1 0 1 0 0 0
0
1
0 0 -1 0 1 -1 1 0 -1 1 -1 0 0 -1 1 0
-1
0
0 0 1 1 0 0 0 1 0 -1 1 0 -1 0 0 -1
0
1
0 0 1 0 1 0 1 0 0 1 -1 0 0 -1 0 0
-1
1
0 0 -1 1 0 -1 0 1 -1 -1 1 0 -1 0 1 -1
0
0
type = 1 2
kptns = (max 50 k-points will be written)
0.000000E+00 0.000000E+00 0.000000E+00
-8.333333E-02 -1.666667E-01 0.000000E+00
-8.333333E-02 -3.333333E-01 0.000000E+00
-1.666667E-01 -2.500000E-01 0.000000E+00
-8.333333E-02 -2.500000E-01 8.333333E-02
-8.333333E-02 5.000000E-01 0.000000E+00
-1.666667E-01 -4.166667E-01 0.000000E+00
-8.333333E-02 -4.166667E-01 8.333333E-02
-2.500000E-01 -3.333333E-01 0.000000E+00
-1.666667E-01 -3.333333E-01 8.333333E-02
-8.333333E-02 -3.333333E-01 1.666667E-01
-8.333333E-02 3.333333E-01 0.000000E+00
-1.666667E-01 4.166667E-01 0.000000E+00
-2.500000E-01 5.000000E-01 0.000000E+00
-1.666667E-01 5.000000E-01 8.333333E-02
-3.333333E-01 -4.166667E-01 0.000000E+00
-2.500000E-01 -4.166667E-01 8.333333E-02
-1.666667E-01 -4.166667E-01 1.666667E-01
-8.333333E-02 -4.166667E-01 2.500000E-01
-8.333333E-02 1.666667E-01 0.000000E+00
-1.666667E-01 2.500000E-01 0.000000E+00
-2.500000E-01 3.333333E-01 0.000000E+00
-3.333333E-01 4.166667E-01 0.000000E+00
-4.166667E-01 5.000000E-01 0.000000E+00
-3.333333E-01 5.000000E-01 8.333333E-02
-2.500000E-01 5.000000E-01 1.666667E-01
-8.333333E-02 0.000000E+00 0.000000E+00
-2.500000E-01 0.000000E+00 0.000000E+00
-4.166667E-01 0.000000E+00 0.000000E+00
wtk =
1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
occ =
2.00 2.00 2.00 2.00 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.00 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 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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
znucl= 15.00 31.00
Pseudopotential info :
title=phosphorus, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 2 local
znuclpsp= 15.00, zionpsp= 5.00, pspso= 0, pspdat= 21003, pspcod= 6,
pspxc=
7
lmnmax = 4
title=gallium, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder
Perdew/Wang (1992), l= 0 local
znuclpsp= 31.00, zionpsp= 13.00, pspso= 0, pspdat= 11001, pspcod= 6,
pspxc=
7
lmnmax = 4
Last record :
residm,etot,fermie= 9.993836E-11 -7.367971442354E+01 0.000000E+00
xred =
0.000000E+00 0.000000E+00 0.000000E+00
2.500000E-01 2.500000E-01 2.500000E-01
End the ECHO of the ABINIT file header
===============================================================================
Results from ABINIT code
Ab-initio plane waves calculation
number of electrons 18
number of symmetries without inversion 24
number of bands 300
number of plane waves 14859
number of shells 793
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
0 -1 1 0 -1 0 1 -1 0 0.0000000 0.0000000 0.0000000
-1 0 0 -1 0 1 -1 1 0 0.0000000 0.0000000 0.0000000
0 1 -1 1 0 -1 0 0 -1 0.0000000 0.0000000 0.0000000
-1 0 0 -1 1 0 -1 0 1 0.0000000 0.0000000 0.0000000
0 -1 1 1 -1 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
0 1 -1 0 0 -1 1 0 -1 0.0000000 0.0000000 0.0000000
-1 0 1 -1 1 0 -1 0 0 0.0000000 0.0000000 0.0000000
0 -1 0 1 -1 0 0 -1 1 0.0000000 0.0000000 0.0000000
1 0 -1 0 0 -1 0 1 -1 0.0000000 0.0000000 0.0000000
0 1 0 0 0 1 1 0 0 0.0000000 0.0000000 0.0000000
1 0 -1 0 1 -1 0 0 -1 0.0000000 0.0000000 0.0000000
0 -1 0 0 -1 1 1 -1 0 0.0000000 0.0000000 0.0000000
-1 0 1 -1 0 0 -1 1 0 0.0000000 0.0000000 0.0000000
0 1 0 1 0 0 0 0 1 0.0000000 0.0000000 0.0000000
0 0 -1 0 1 -1 1 0 -1 0.0000000 0.0000000 0.0000000
1 -1 0 0 -1 1 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 1 0 -1 0 0 -1 0 1 0.0000000 0.0000000 0.0000000
0 0 1 0 1 0 1 0 0 0.0000000 0.0000000 0.0000000
1 -1 0 0 -1 0 0 -1 1 0.0000000 0.0000000 0.0000000
0 0 -1 1 0 -1 0 1 -1 0.0000000 0.0000000 0.0000000
-1 1 0 -1 0 1 -1 0 0 0.0000000 0.0000000 0.0000000
shell limit G-vectors [reduced coordinates]
1 1 1 ( 0 0 0)
2 5 2 ( 1 0 0) 3 ( 0 0 1) 4 ( -1 -1 -1) 5 ( 0 1
0)
3 9 6 ( -1 0 0) 7 ( 0 0 -1) 8 ( 1 1 1) 9 ( 0 -1
0)
4 15 10 ( 1 1 0) 11 ( -1 -1 0) 12 ( -1 0 -1) 13 ( 1 0
1)
14 ( 0 1 1) 15 ( 0 -1 -1)
5 27 16 ( -1 1 0) 17 ( -1 -1 -2) 18 ( 1 1 2) 19 ( 1 -1
0)
20 ( 1 2 1) 21 ( -1 -2 -1) 22 ( -1 0 1) 23 ( 1 0
-1)
24 ( 0 1 -1) 25 ( -2 -1 -1) 26 ( 0 -1 1) 27 ( 2 1
1)
6 39 28 ( 2 1 0) 29 ( -1 -1 1) 30 ( -2 -2 -1) 31 ( 1 2
0)
32 ( -2 -1 -2) 33 ( -1 1 -1) 34 ( 2 0 1) 35 ( 1 0
2)
36 ( 0 1 2) 37 ( 1 -1 -1) 38 ( 0 2 1) 39 ( -1 -2
-2)
7 51 40 ( -1 -2 0) 41 ( 2 2 1) 42 ( 1 1 -1) 43 ( -2 -1
0)
44 ( 1 -1 1) 45 ( 2 1 2) 46 ( -1 0 -2) 47 ( -2 0
-1)
48 ( 0 -2 -1) 49 ( 1 2 2) 50 ( 0 -1 -2) 51 ( -1 1
1)
8 55 52 ( 2 0 0) 53 ( 0 0 2) 54 ( -2 -2 -2) 55 ( 0 2
0)
9 59 56 ( -2 0 0) 57 ( 0 0 -2) 58 ( 2 2 2) 59 ( 0 -2
0)
10 65 60 ( 2 2 0) 61 ( -2 -2 0) 62 ( -2 0 -2) 63 ( 2 0
2)
64 ( 0 2 2) 65 ( 0 -2 -2)
11 77 66 ( -2 1 0) 67 ( -1 -1 -3) 68 ( 2 2 3) 69 ( 1 -2
0)
70 ( 2 3 2) 71 ( -1 -3 -1) 72 ( -2 0 1) 73 ( 1 0
-2)
74 ( 0 1 -2) 75 ( -3 -1 -1) 76 ( 0 -2 1) 77 ( 3 2
2)
12 89 78 ( -1 2 0) 79 ( -2 -2 -3) 80 ( 1 1 3) 81 ( 2 -1
0)
82 ( 1 3 1) 83 ( -2 -3 -2) 84 ( -1 0 2) 85 ( 2 0
-1)
86 ( 0 2 -1) 87 ( -3 -2 -2) 88 ( 0 -1 2) 89 ( 3 1
1)
13 113 90 ( 3 2 1) 91 ( -1 -2 1) 92 ( -3 -2 -1) 93 ( 1 2
-1)
94 ( -3 -1 -2) 95 ( -1 1 -2) 96 ( 3 1 2) 97 ( 1 -1
2)
98 ( -2 -1 -3) 99 ( -2 1 -1) 100 ( 2 -1 1) 101 ( 2 1
3)
102 ( 2 1 -1) 103 ( -2 -1 1) 104 ( -2 -3 -1) 105 ( 2 3
1)
106 ( -1 1 2) 107 ( 1 -1 -2) 108 ( 1 3 2) 109 ( -1 -3
-2)
110 ( 1 2 3) 111 ( 1 -2 -1) 112 ( -1 2 1) 113 ( -1 -2
-3)
14 125 114 ( 3 1 0) 115 ( -1 -1 2) 116 ( -3 -3 -2) 117 ( 1 3
0)
118 ( -3 -2 -3) 119 ( -1 2 -1) 120 ( 3 0 1) 121 ( 1 0
3)
122 ( 0 1 3) 123 ( 2 -1 -1) 124 ( 0 3 1) 125 ( -2 -3
-3)
15 137 126 ( -1 -3 0) 127 ( 3 3 2) 128 ( 1 1 -2) 129 ( -3 -1
0)
130 ( 1 -2 1) 131 ( 3 2 3) 132 ( -1 0 -3) 133 ( -3 0
-1)
134 ( 0 -3 -1) 135 ( 2 3 3) 136 ( 0 -1 -3) 137 ( -2 1
1)
16 141 138 ( 3 0 0) 139 ( 0 0 3) 140 ( -3 -3 -3) 141 ( 0 3
0)
17 145 142 ( -3 0 0) 143 ( 0 0 -3) 144 ( 3 3 3) 145 ( 0 -3
0)
18 157 146 ( 3 2 0) 147 ( -2 -2 1) 148 ( -3 -3 -1) 149 ( 2 3
0)
150 ( -3 -1 -3) 151 ( -2 1 -2) 152 ( 3 0 2) 153 ( 2 0
3)
154 ( 0 2 3) 155 ( 1 -2 -2) 156 ( 0 3 2) 157 ( -1 -3
-3)
19 169 158 ( -2 -3 0) 159 ( 3 3 1) 160 ( 2 2 -1) 161 ( -3 -2
0)
162 ( 2 -1 2) 163 ( 3 1 3) 164 ( -2 0 -3) 165 ( -3 0
-2)
166 ( 0 -3 -2) 167 ( 1 3 3) 168 ( 0 -2 -3) 169 ( -1 2
2)
20 181 170 ( -2 2 0) 171 ( -2 -2 -4) 172 ( 2 2 4) 173 ( 2 -2
0)
174 ( 2 4 2) 175 ( -2 -4 -2) 176 ( -2 0 2) 177 ( 2 0
-2)
178 ( 0 2 -2) 179 ( -4 -2 -2) 180 ( 0 -2 2) 181 ( 4 2
2)
21 205 182 ( 4 2 1) 183 ( -1 -2 2) 184 ( -4 -3 -2) 185 ( 1 3
-1)
186 ( -4 -2 -3) 187 ( -1 2 -2) 188 ( 4 1 2) 189 ( 1 -1
3)
190 ( -3 -2 -4) 191 ( -2 2 -1) 192 ( 3 -1 1) 193 ( 2 1
4)
194 ( 3 1 -1) 195 ( -2 -1 2) 196 ( -3 -4 -2) 197 ( 2 4
1)
198 ( -1 1 3) 199 ( 2 -1 -2) 200 ( 1 4 2) 201 ( -2 -4
-3)
202 ( 1 2 4) 203 ( 2 -2 -1) 204 ( -1 3 1) 205 ( -2 -3
-4)
22 229 206 ( -2 2 1) 207 ( -1 -2 -4) 208 ( 2 3 4) 209 ( 1 -3
-1)
210 ( 2 4 3) 211 ( -1 -4 -2) 212 ( -2 1 2) 213 ( 1 -1
-3)
214 ( 3 4 2) 215 ( -2 -4 -1) 216 ( -3 -1 1) 217 ( 2 1
-2)
218 ( -3 1 -1) 219 ( -2 -1 -4) 220 ( 3 2 4) 221 ( 2 -2
1)
222 ( -1 1 -3) 223 ( -4 -1 -2) 224 ( 1 -2 2) 225 ( 4 2
3)
226 ( 1 2 -2) 227 ( -4 -2 -1) 228 ( -1 -3 1) 229 ( 4 3
2)
23 241 230 ( -3 1 0) 231 ( -1 -1 -4) 232 ( 3 3 4) 233 ( 1 -3
0)
234 ( 3 4 3) 235 ( -1 -4 -1) 236 ( -3 0 1) 237 ( 1 0
-3)
238 ( 0 1 -3) 239 ( -4 -1 -1) 240 ( 0 -3 1) 241 ( 4 3
3)
24 247 242 ( 3 3 0) 243 ( -3 -3 0) 244 ( -3 0 -3) 245 ( 3 0
3)
246 ( 0 3 3) 247 ( 0 -3 -3)
25 259 248 ( -1 3 0) 249 ( -3 -3 -4) 250 ( 1 1 4) 251 ( 3 -1
0)
252 ( 1 4 1) 253 ( -3 -4 -3) 254 ( -1 0 3) 255 ( 3 0
-1)
256 ( 0 3 -1) 257 ( -4 -3 -3) 258 ( 0 -1 3) 259 ( 4 1
1)
26 283 260 ( 4 3 1) 261 ( -2 -3 1) 262 ( -4 -3 -1) 263 ( 2 3
-1)
264 ( -4 -1 -3) 265 ( -2 1 -3) 266 ( 4 1 3) 267 ( 2 -1
3)
268 ( -3 -1 -4) 269 ( -3 1 -2) 270 ( 3 -1 2) 271 ( 3 1
4)
272 ( 3 2 -1) 273 ( -3 -2 1) 274 ( -3 -4 -1) 275 ( 3 4
1)
276 ( -1 2 3) 277 ( 1 -2 -3) 278 ( 1 4 3) 279 ( -1 -4
-3)
280 ( 1 3 4) 281 ( 1 -3 -2) 282 ( -1 3 2) 283 ( -1 -3
-4)
27 295 284 ( 4 1 0) 285 ( -1 -1 3) 286 ( -4 -4 -3) 287 ( 1 4
0)
288 ( -4 -3 -4) 289 ( -1 3 -1) 290 ( 4 0 1) 291 ( 1 0
4)
292 ( 0 1 4) 293 ( 3 -1 -1) 294 ( 0 4 1) 295 ( -3 -4
-4)
28 307 296 ( -1 -4 0) 297 ( 4 4 3) 298 ( 1 1 -3) 299 ( -4 -1
0)
300 ( 1 -3 1) 301 ( 4 3 4) 302 ( -1 0 -4) 303 ( -4 0
-1)
304 ( 0 -4 -1) 305 ( 3 4 4) 306 ( 0 -1 -4) 307 ( -3 1
1)
29 319 308 ( 4 2 0) 309 ( -2 -2 2) 310 ( -4 -4 -2) 311 ( 2 4
0)
312 ( -4 -2 -4) 313 ( -2 2 -2) 314 ( 4 0 2) 315 ( 2 0
4)
316 ( 0 2 4) 317 ( 2 -2 -2) 318 ( 0 4 2) 319 ( -2 -4
-4)
30 331 320 ( -2 -4 0) 321 ( 4 4 2) 322 ( 2 2 -2) 323 ( -4 -2
0)
324 ( 2 -2 2) 325 ( 4 2 4) 326 ( -2 0 -4) 327 ( -4 0
-2)
328 ( 0 -4 -2) 329 ( 2 4 4) 330 ( 0 -2 -4) 331 ( -2 2
2)
31 335 332 ( 4 0 0) 333 ( 0 0 4) 334 ( -4 -4 -4) 335 ( 0 4
0)
32 339 336 ( -4 0 0) 337 ( 0 0 -4) 338 ( 4 4 4) 339 ( 0 -4
0)
33 351 340 ( -3 2 0) 341 ( -2 -2 -5) 342 ( 3 3 5) 343 ( 2 -3
0)
344 ( 3 5 3) 345 ( -2 -5 -2) 346 ( -3 0 2) 347 ( 2 0
-3)
348 ( 0 2 -3) 349 ( -5 -2 -2) 350 ( 0 -3 2) 351 ( 5 3
3)
34 363 352 ( 4 3 0) 353 ( -3 -3 1) 354 ( -4 -4 -1) 355 ( 3 4
0)
356 ( -4 -1 -4) 357 ( -3 1 -3) 358 ( 4 0 3) 359 ( 3 0
4)
360 ( 0 3 4) 361 ( 1 -3 -3) 362 ( 0 4 3) 363 ( -1 -4
-4)
35 375 364 ( -2 3 0) 365 ( -3 -3 -5) 366 ( 2 2 5) 367 ( 3 -2
0)
368 ( 2 5 2) 369 ( -3 -5 -3) 370 ( -2 0 3) 371 ( 3 0
-2)
372 ( 0 3 -2) 373 ( -5 -3 -3) 374 ( 0 -2 3) 375 ( 5 2
2)
36 387 376 ( -3 -4 0) 377 ( 4 4 1) 378 ( 3 3 -1) 379 ( -4 -3
0)
380 ( 3 -1 3) 381 ( 4 1 4) 382 ( -3 0 -4) 383 ( -4 0
-3)
384 ( 0 -4 -3) 385 ( 1 4 4) 386 ( 0 -3 -4) 387 ( -1 3
3)
37 411 388 ( -2 3 1) 389 ( -2 -3 -5) 390 ( 2 3 5) 391 ( 2 -3
-1)
392 ( 2 5 3) 393 ( -2 -5 -3) 394 ( -2 1 3) 395 ( 2 -1
-3)
396 ( 3 5 2) 397 ( -3 -5 -2) 398 ( -3 -1 2) 399 ( 3 1
-2)
400 ( -3 2 -1) 401 ( -3 -2 -5) 402 ( 3 2 5) 403 ( 3 -2
1)
404 ( -1 2 -3) 405 ( -5 -2 -3) 406 ( 1 -2 3) 407 ( 5 2
3)
408 ( 1 3 -2) 409 ( -5 -3 -2) 410 ( -1 -3 2) 411 ( 5 3
2)
38 435 412 ( 5 2 1) 413 ( -1 -2 3) 414 ( -5 -4 -3) 415 ( 1 4
-1)
416 ( -5 -3 -4) 417 ( -1 3 -2) 418 ( 5 1 2) 419 ( 1 -1
4)
420 ( -4 -3 -5) 421 ( -2 3 -1) 422 ( 4 -1 1) 423 ( 2 1
5)
424 ( 4 1 -1) 425 ( -2 -1 3) 426 ( -4 -5 -3) 427 ( 2 5
1)
428 ( -1 1 4) 429 ( 3 -1 -2) 430 ( 1 5 2) 431 ( -3 -5
-4)
432 ( 1 2 5) 433 ( 3 -2 -1) 434 ( -1 4 1) 435 ( -3 -4
-5)
39 459 436 ( -3 2 1) 437 ( -1 -2 -5) 438 ( 3 4 5) 439 ( 1 -4
-1)
440 ( 3 5 4) 441 ( -1 -5 -2) 442 ( -3 1 2) 443 ( 1 -1
-4)
444 ( 4 5 3) 445 ( -2 -5 -1) 446 ( -4 -1 1) 447 ( 2 1
-3)
448 ( -4 1 -1) 449 ( -2 -1 -5) 450 ( 4 3 5) 451 ( 2 -3
1)
452 ( -1 1 -4) 453 ( -5 -1 -2) 454 ( 1 -3 2) 455 ( 5 3
4)
456 ( 1 2 -3) 457 ( -5 -2 -1) 458 ( -1 -4 1) 459 ( 5 4
3)
40 471 460 ( -4 1 0) 461 ( -1 -1 -5) 462 ( 4 4 5) 463 ( 1 -4
0)
464 ( 4 5 4) 465 ( -1 -5 -1) 466 ( -4 0 1) 467 ( 1 0
-4)
468 ( 0 1 -4) 469 ( -5 -1 -1) 470 ( 0 -4 1) 471 ( 5 4
4)
41 483 472 ( -1 4 0) 473 ( -4 -4 -5) 474 ( 1 1 5) 475 ( 4 -1
0)
476 ( 1 5 1) 477 ( -4 -5 -4) 478 ( -1 0 4) 479 ( 4 0
-1)
480 ( 0 4 -1) 481 ( -5 -4 -4) 482 ( 0 -1 4) 483 ( 5 1
1)
42 507 484 ( 5 3 1) 485 ( -2 -3 2) 486 ( -5 -4 -2) 487 ( 2 4
-1)
488 ( -5 -2 -4) 489 ( -2 2 -3) 490 ( 5 1 3) 491 ( 2 -1
4)
492 ( -4 -2 -5) 493 ( -3 2 -2) 494 ( 4 -1 2) 495 ( 3 1
5)
496 ( 4 2 -1) 497 ( -3 -2 2) 498 ( -4 -5 -2) 499 ( 3 5
1)
500 ( -1 2 4) 501 ( 2 -2 -3) 502 ( 1 5 3) 503 ( -2 -5
-4)
504 ( 1 3 5) 505 ( 2 -3 -2) 506 ( -1 4 2) 507 ( -2 -4
-5)
43 531 508 ( -2 -4 1) 509 ( 5 4 2) 510 ( 2 3 -2) 511 ( -5 -3
-1)
512 ( 2 -2 3) 513 ( 5 2 4) 514 ( -2 1 -4) 515 ( -5 -1
-3)
516 ( 3 -2 2) 517 ( 4 2 5) 518 ( -3 -1 -5) 519 ( -4 1
-2)
520 ( -3 -5 -1) 521 ( 4 5 2) 522 ( 3 2 -2) 523 ( -4 -2
1)
524 ( -1 -5 -3) 525 ( 2 5 4) 526 ( 1 -2 -4) 527 ( -2 2
3)
528 ( 1 -4 -2) 529 ( 2 4 5) 530 ( -1 -3 -5) 531 ( -2 3
2)
44 537 532 ( 4 4 0) 533 ( -4 -4 0) 534 ( -4 0 -4) 535 ( 4 0
4)
536 ( 0 4 4) 537 ( 0 -4 -4)
45 549 538 ( 5 2 0) 539 ( -2 -2 3) 540 ( -5 -5 -3) 541 ( 2 5
0)
542 ( -5 -3 -5) 543 ( -2 3 -2) 544 ( 5 0 2) 545 ( 2 0
5)
546 ( 0 2 5) 547 ( 3 -2 -2) 548 ( 0 5 2) 549 ( -3 -5
-5)
46 561 550 ( -2 -5 0) 551 ( 5 5 3) 552 ( 2 2 -3) 553 ( -5 -2
0)
554 ( 2 -3 2) 555 ( 5 3 5) 556 ( -2 0 -5) 557 ( -5 0
-2)
558 ( 0 -5 -2) 559 ( 3 5 5) 560 ( 0 -2 -5) 561 ( -3 2
2)
47 573 562 ( 5 1 0) 563 ( -1 -1 4) 564 ( -5 -5 -4) 565 ( 1 5
0)
566 ( -5 -4 -5) 567 ( -1 4 -1) 568 ( 5 0 1) 569 ( 1 0
5)
570 ( 0 1 5) 571 ( 4 -1 -1) 572 ( 0 5 1) 573 ( -4 -5
-5)
48 585 574 ( -1 -5 0) 575 ( 5 5 4) 576 ( 1 1 -4) 577 ( -5 -1
0)
578 ( 1 -4 1) 579 ( 5 4 5) 580 ( -1 0 -5) 581 ( -5 0
-1)
582 ( 0 -5 -1) 583 ( 4 5 5) 584 ( 0 -1 -5) 585 ( -4 1
1)
49 609 586 ( 5 4 1) 587 ( -3 -4 1) 588 ( -5 -4 -1) 589 ( 3 4
-1)
590 ( -5 -1 -4) 591 ( -3 1 -4) 592 ( 5 1 4) 593 ( 3 -1
4)
594 ( -4 -1 -5) 595 ( -4 1 -3) 596 ( 4 -1 3) 597 ( 4 1
5)
598 ( 4 3 -1) 599 ( -4 -3 1) 600 ( -4 -5 -1) 601 ( 4 5
1)
602 ( -1 3 4) 603 ( 1 -3 -4) 604 ( 1 5 4) 605 ( -1 -5
-4)
606 ( 1 4 5) 607 ( 1 -4 -3) 608 ( -1 4 3) 609 ( -1 -4
-5)
50 621 610 ( 5 3 0) 611 ( -3 -3 2) 612 ( -5 -5 -2) 613 ( 3 5
0)
614 ( -5 -2 -5) 615 ( -3 2 -3) 616 ( 5 0 3) 617 ( 3 0
5)
618 ( 0 3 5) 619 ( 2 -3 -3) 620 ( 0 5 3) 621 ( -2 -5
-5)
51 633 622 ( -3 3 0) 623 ( -3 -3 -6) 624 ( 3 3 6) 625 ( 3 -3
0)
626 ( 3 6 3) 627 ( -3 -6 -3) 628 ( -3 0 3) 629 ( 3 0
-3)
630 ( 0 3 -3) 631 ( -6 -3 -3) 632 ( 0 -3 3) 633 ( 6 3
3)
52 645 634 ( -3 -5 0) 635 ( 5 5 2) 636 ( 3 3 -2) 637 ( -5 -3
0)
638 ( 3 -2 3) 639 ( 5 2 5) 640 ( -3 0 -5) 641 ( -5 0
-3)
642 ( 0 -5 -3) 643 ( 2 5 5) 644 ( 0 -3 -5) 645 ( -2 3
3)
53 649 646 ( 5 0 0) 647 ( 0 0 5) 648 ( -5 -5 -5) 649 ( 0 5
0)
54 653 650 ( -5 0 0) 651 ( 0 0 -5) 652 ( 5 5 5) 653 ( 0 -5
0)
55 677 654 ( -3 3 1) 655 ( -2 -3 -6) 656 ( 3 4 6) 657 ( 2 -4
-1)
658 ( 3 6 4) 659 ( -2 -6 -3) 660 ( -3 1 3) 661 ( 2 -1
-4)
662 ( 4 6 3) 663 ( -3 -6 -2) 664 ( -4 -1 2) 665 ( 3 1
-3)
666 ( -4 2 -1) 667 ( -3 -2 -6) 668 ( 4 3 6) 669 ( 3 -3
1)
670 ( -1 2 -4) 671 ( -6 -2 -3) 672 ( 1 -3 3) 673 ( 6 3
4)
674 ( 1 3 -3) 675 ( -6 -3 -2) 676 ( -1 -4 2) 677 ( 6 4
3)
56 701 678 ( -2 4 1) 679 ( -3 -4 -6) 680 ( 2 3 6) 681 ( 3 -3
-1)
682 ( 2 6 3) 683 ( -3 -6 -4) 684 ( -2 1 4) 685 ( 3 -1
-3)
686 ( 3 6 2) 687 ( -4 -6 -3) 688 ( -3 -1 3) 689 ( 4 1
-2)
690 ( -3 3 -1) 691 ( -4 -3 -6) 692 ( 3 2 6) 693 ( 4 -2
1)
694 ( -1 3 -3) 695 ( -6 -3 -4) 696 ( 1 -2 4) 697 ( 6 2
3)
698 ( 1 4 -2) 699 ( -6 -4 -3) 700 ( -1 -3 3) 701 ( 6 3
2)
57 713 702 ( -4 2 0) 703 ( -2 -2 -6) 704 ( 4 4 6) 705 ( 2 -4
0)
706 ( 4 6 4) 707 ( -2 -6 -2) 708 ( -4 0 2) 709 ( 2 0
-4)
710 ( 0 2 -4) 711 ( -6 -2 -2) 712 ( 0 -4 2) 713 ( 6 4
4)
58 725 714 ( -2 4 0) 715 ( -4 -4 -6) 716 ( 2 2 6) 717 ( 4 -2
0)
718 ( 2 6 2) 719 ( -4 -6 -4) 720 ( -2 0 4) 721 ( 4 0
-2)
722 ( 0 4 -2) 723 ( -6 -4 -4) 724 ( 0 -2 4) 725 ( 6 2
2)
59 749 726 ( 6 4 2) 727 ( -2 -4 2) 728 ( -6 -4 -2) 729 ( 2 4
-2)
730 ( -6 -2 -4) 731 ( -2 2 -4) 732 ( 6 2 4) 733 ( 2 -2
4)
734 ( -4 -2 -6) 735 ( -4 2 -2) 736 ( 4 -2 2) 737 ( 4 2
6)
738 ( 4 2 -2) 739 ( -4 -2 2) 740 ( -4 -6 -2) 741 ( 4 6
2)
742 ( -2 2 4) 743 ( 2 -2 -4) 744 ( 2 6 4) 745 ( -2 -6
-4)
746 ( 2 4 6) 747 ( 2 -4 -2) 748 ( -2 4 2) 749 ( -2 -4
-6)
60 761 750 ( 5 4 0) 751 ( -4 -4 1) 752 ( -5 -5 -1) 753 ( 4 5
0)
754 ( -5 -1 -5) 755 ( -4 1 -4) 756 ( 5 0 4) 757 ( 4 0
5)
758 ( 0 4 5) 759 ( 1 -4 -4) 760 ( 0 5 4) 761 ( -1 -5
-5)
61 773 762 ( -4 -5 0) 763 ( 5 5 1) 764 ( 4 4 -1) 765 ( -5 -4
0)
766 ( 4 -1 4) 767 ( 5 1 5) 768 ( -4 0 -5) 769 ( -5 0
-4)
770 ( 0 -5 -4) 771 ( 1 5 5) 772 ( 0 -4 -5) 773 ( -1 4
4)
62 797 774 ( 6 2 1) 775 ( -1 -2 4) 776 ( -6 -5 -4) 777 ( 1 5
-1)
778 ( -6 -4 -5) 779 ( -1 4 -2) 780 ( 6 1 2) 781 ( 1 -1
5)
782 ( -5 -4 -6) 783 ( -2 4 -1) 784 ( 5 -1 1) 785 ( 2 1
6)
786 ( 5 1 -1) 787 ( -2 -1 4) 788 ( -5 -6 -4) 789 ( 2 6
1)
790 ( -1 1 5) 791 ( 4 -1 -2) 792 ( 1 6 2) 793 ( -4 -6
-5)
794 ( 1 2 6) 795 ( 4 -2 -1) 796 ( -1 5 1) 797 ( -4 -5
-6)
63 821 798 ( -4 2 1) 799 ( -1 -2 -6) 800 ( 4 5 6) 801 ( 1 -5
-1)
802 ( 4 6 5) 803 ( -1 -6 -2) 804 ( -4 1 2) 805 ( 1 -1
-5)
806 ( 5 6 4) 807 ( -2 -6 -1) 808 ( -5 -1 1) 809 ( 2 1
-4)
810 ( -5 1 -1) 811 ( -2 -1 -6) 812 ( 5 4 6) 813 ( 2 -4
1)
814 ( -1 1 -5) 815 ( -6 -1 -2) 816 ( 1 -4 2) 817 ( 6 4
5)
818 ( 1 2 -4) 819 ( -6 -2 -1) 820 ( -1 -5 1) 821 ( 6 5
4)
64 845 822 ( 6 3 1) 823 ( -2 -3 3) 824 ( -6 -5 -3) 825 ( 2 5
-1)
826 ( -6 -3 -5) 827 ( -2 3 -3) 828 ( 6 1 3) 829 ( 2 -1
5)
830 ( -5 -3 -6) 831 ( -3 3 -2) 832 ( 5 -1 2) 833 ( 3 1
6)
834 ( 5 2 -1) 835 ( -3 -2 3) 836 ( -5 -6 -3) 837 ( 3 6
1)
838 ( -1 2 5) 839 ( 3 -2 -3) 840 ( 1 6 3) 841 ( -3 -6
-5)
842 ( 1 3 6) 843 ( 3 -3 -2) 844 ( -1 5 2) 845 ( -3 -5
-6)
65 869 846 ( -2 -5 1) 847 ( 6 5 3) 848 ( 2 3 -3) 849 ( -6 -3
-1)
850 ( 2 -3 3) 851 ( 6 3 5) 852 ( -2 1 -5) 853 ( -6 -1
-3)
854 ( 3 -3 2) 855 ( 5 3 6) 856 ( -3 -1 -6) 857 ( -5 1
-2)
858 ( -3 -6 -1) 859 ( 5 6 3) 860 ( 3 2 -3) 861 ( -5 -2
1)
862 ( -1 -6 -3) 863 ( 3 6 5) 864 ( 1 -2 -5) 865 ( -3 2
3)
866 ( 1 -5 -2) 867 ( 3 5 6) 868 ( -1 -3 -6) 869 ( -3 3
2)
66 881 870 ( -5 1 0) 871 ( -1 -1 -6) 872 ( 5 5 6) 873 ( 1 -5
0)
874 ( 5 6 5) 875 ( -1 -6 -1) 876 ( -5 0 1) 877 ( 1 0
-5)
878 ( 0 1 -5) 879 ( -6 -1 -1) 880 ( 0 -5 1) 881 ( 6 5
5)
67 893 882 ( -1 5 0) 883 ( -5 -5 -6) 884 ( 1 1 6) 885 ( 5 -1
0)
886 ( 1 6 1) 887 ( -5 -6 -5) 888 ( -1 0 5) 889 ( 5 0
-1)
890 ( 0 5 -1) 891 ( -6 -5 -5) 892 ( 0 -1 5) 893 ( 6 1
1)
68 917 894 ( 6 4 1) 895 ( -3 -4 2) 896 ( -6 -5 -2) 897 ( 3 5
-1)
898 ( -6 -2 -5) 899 ( -3 2 -4) 900 ( 6 1 4) 901 ( 3 -1
5)
902 ( -5 -2 -6) 903 ( -4 2 -3) 904 ( 5 -1 3) 905 ( 4 1
6)
906 ( 5 3 -1) 907 ( -4 -3 2) 908 ( -5 -6 -2) 909 ( 4 6
1)
910 ( -1 3 5) 911 ( 2 -3 -4) 912 ( 1 6 4) 913 ( -2 -6
-5)
914 ( 1 4 6) 915 ( 2 -4 -3) 916 ( -1 5 3) 917 ( -2 -5
-6)
69 941 918 ( -3 -5 1) 919 ( 6 5 2) 920 ( 3 4 -2) 921 ( -6 -4
-1)
922 ( 3 -2 4) 923 ( 6 2 5) 924 ( -3 1 -5) 925 ( -6 -1
-4)
926 ( 4 -2 3) 927 ( 5 2 6) 928 ( -4 -1 -6) 929 ( -5 1
-3)
930 ( -4 -6 -1) 931 ( 5 6 2) 932 ( 4 3 -2) 933 ( -5 -3
1)
934 ( -1 -6 -4) 935 ( 2 6 5) 936 ( 1 -3 -5) 937 ( -2 3
4)
938 ( 1 -5 -3) 939 ( 2 5 6) 940 ( -1 -4 -6) 941 ( -2 4
3)
70 953 942 ( 6 2 0) 943 ( -2 -2 4) 944 ( -6 -6 -4) 945 ( 2 6
0)
946 ( -6 -4 -6) 947 ( -2 4 -2) 948 ( 6 0 2) 949 ( 2 0
6)
950 ( 0 2 6) 951 ( 4 -2 -2) 952 ( 0 6 2) 953 ( -4 -6
-6)
71 965 954 ( -2 -6 0) 955 ( 6 6 4) 956 ( 2 2 -4) 957 ( -6 -2
0)
958 ( 2 -4 2) 959 ( 6 4 6) 960 ( -2 0 -6) 961 ( -6 0
-2)
962 ( 0 -6 -2) 963 ( 4 6 6) 964 ( 0 -2 -6) 965 ( -4 2
2)
72 977 966 ( 6 1 0) 967 ( -1 -1 5) 968 ( -6 -6 -5) 969 ( 1 6
0)
970 ( -6 -5 -6) 971 ( -1 5 -1) 972 ( 6 0 1) 973 ( 1 0
6)
974 ( 0 1 6) 975 ( 5 -1 -1) 976 ( 0 6 1) 977 ( -5 -6
-6)
73 989 978 ( 6 3 0) 979 ( -3 -3 3) 980 ( -6 -6 -3) 981 ( 3 6
0)
982 ( -6 -3 -6) 983 ( -3 3 -3) 984 ( 6 0 3) 985 ( 3 0
6)
986 ( 0 3 6) 987 ( 3 -3 -3) 988 ( 0 6 3) 989 ( -3 -6
-6)
74 1001 990 ( -4 3 0) 991 ( -3 -3 -7) 992 ( 4 4 7) 993 ( 3 -4
0)
994 ( 4 7 4) 995 ( -3 -7 -3) 996 ( -4 0 3) 997 ( 3 0
-4)
998 ( 0 3 -4) 999 ( -7 -3 -3) 1000 ( 0 -4 3) 1001 ( 7 4
4)
75 1013 1002 ( -3 4 0) 1003 ( -4 -4 -7) 1004 ( 3 3 7) 1005 ( 4 -3
0)
1006 ( 3 7 3) 1007 ( -4 -7 -4) 1008 ( -3 0 4) 1009 ( 4 0
-3)
1010 ( 0 4 -3) 1011 ( -7 -4 -4) 1012 ( 0 -3 4) 1013 ( 7 3
3)
76 1025 1014 ( -3 -6 0) 1015 ( 6 6 3) 1016 ( 3 3 -3) 1017 ( -6 -3
0)
1018 ( 3 -3 3) 1019 ( 6 3 6) 1020 ( -3 0 -6) 1021 ( -6 0
-3)
1022 ( 0 -6 -3) 1023 ( 3 6 6) 1024 ( 0 -3 -6) 1025 ( -3 3
3)
77 1037 1026 ( -1 -6 0) 1027 ( 6 6 5) 1028 ( 1 1 -5) 1029 ( -6 -1
0)
1030 ( 1 -5 1) 1031 ( 6 5 6) 1032 ( -1 0 -6) 1033 ( -6 0
-1)
1034 ( 0 -6 -1) 1035 ( 5 6 6) 1036 ( 0 -1 -6) 1037 ( -5 1
1)
78 1043 1038 ( 5 5 0) 1039 ( -5 -5 0) 1040 ( -5 0 -5) 1041 ( 5 0
5)
1042 ( 0 5 5) 1043 ( 0 -5 -5)
79 1067 1044 ( -3 4 1) 1045 ( -3 -4 -7) 1046 ( 3 4 7) 1047 ( 3 -4
-1)
1048 ( 3 7 4) 1049 ( -3 -7 -4) 1050 ( -3 1 4) 1051 ( 3 -1
-4)
1052 ( 4 7 3) 1053 ( -4 -7 -3) 1054 ( -4 -1 3) 1055 ( 4 1
-3)
1056 ( -4 3 -1) 1057 ( -4 -3 -7) 1058 ( 4 3 7) 1059 ( 4 -3
1)
1060 ( -1 3 -4) 1061 ( -7 -3 -4) 1062 ( 1 -3 4) 1063 ( 7 3
4)
1064 ( 1 4 -3) 1065 ( -7 -4 -3) 1066 ( -1 -4 3) 1067 ( 7 4
3)
80 1091 1068 ( -4 3 1) 1069 ( -2 -3 -7) 1070 ( 4 5 7) 1071 ( 2 -5
-1)
1072 ( 4 7 5) 1073 ( -2 -7 -3) 1074 ( -4 1 3) 1075 ( 2 -1
-5)
1076 ( 5 7 4) 1077 ( -3 -7 -2) 1078 ( -5 -1 2) 1079 ( 3 1
-4)
1080 ( -5 2 -1) 1081 ( -3 -2 -7) 1082 ( 5 4 7) 1083 ( 3 -4
1)
1084 ( -1 2 -5) 1085 ( -7 -2 -3) 1086 ( 1 -4 3) 1087 ( 7 4
5)
1088 ( 1 3 -4) 1089 ( -7 -3 -2) 1090 ( -1 -5 2) 1091 ( 7 5
4)
81 1115 1092 ( 6 5 1) 1093 ( -4 -5 1) 1094 ( -6 -5 -1) 1095 ( 4 5
-1)
1096 ( -6 -1 -5) 1097 ( -4 1 -5) 1098 ( 6 1 5) 1099 ( 4 -1
5)
1100 ( -5 -1 -6) 1101 ( -5 1 -4) 1102 ( 5 -1 4) 1103 ( 5 1
6)
1104 ( 5 4 -1) 1105 ( -5 -4 1) 1106 ( -5 -6 -1) 1107 ( 5 6
1)
1108 ( -1 4 5) 1109 ( 1 -4 -5) 1110 ( 1 6 5) 1111 ( -1 -6
-5)
1112 ( 1 5 6) 1113 ( 1 -5 -4) 1114 ( -1 5 4) 1115 ( -1 -5
-6)
82 1139 1116 ( -2 5 1) 1117 ( -4 -5 -7) 1118 ( 2 3 7) 1119 ( 4 -3
-1)
1120 ( 2 7 3) 1121 ( -4 -7 -5) 1122 ( -2 1 5) 1123 ( 4 -1
-3)
1124 ( 3 7 2) 1125 ( -5 -7 -4) 1126 ( -3 -1 4) 1127 ( 5 1
-2)
1128 ( -3 4 -1) 1129 ( -5 -4 -7) 1130 ( 3 2 7) 1131 ( 5 -2
1)
1132 ( -1 4 -3) 1133 ( -7 -4 -5) 1134 ( 1 -2 5) 1135 ( 7 2
3)
1136 ( 1 5 -2) 1137 ( -7 -5 -4) 1138 ( -1 -3 4) 1139 ( 7 3
2)
83 1151
84 1163
85 1187
86 1211
87 1215
88 1219
89 1231
90 1243
91 1267
92 1291
93 1315
94 1339
95 1363
96 1387
97 1411
98 1423
99 1435
100 1447
101 1459
102 1471
103 1483
104 1495
105 1519
106 1543
107 1567
108 1591
109 1603
110 1615
111 1627
112 1639
113 1651
114 1663
115 1687
116 1699
117 1711
118 1735
119 1759
120 1783
121 1807
122 1819
123 1825
124 1837
125 1841
126 1845
127 1869
128 1893
129 1917
130 1929
131 1941
132 1965
133 1989
134 2013
135 2037
136 2061
137 2085
138 2109
139 2121
140 2133
141 2145
142 2157
143 2181
144 2205
145 2229
146 2253
147 2277
148 2289
149 2301
150 2313
151 2325
152 2337
153 2349
154 2373
155 2397
156 2409
157 2421
158 2433
159 2445
160 2457
161 2469
162 2493
163 2517
164 2541
165 2565
166 2589
167 2613
168 2637
169 2661
170 2685
171 2697
172 2709
173 2721
174 2733
175 2737
176 2741
177 2765
178 2789
179 2813
180 2837
181 2843
182 2867
183 2891
184 2903
185 2927
186 2951
187 2975
188 2999
189 3023
190 3047
191 3071
192 3083
193 3095
194 3107
195 3119
196 3143
197 3155
198 3167
199 3191
200 3215
201 3239
202 3263
203 3287
204 3299
205 3311
206 3323
207 3335
208 3359
209 3383
210 3395
211 3407
212 3419
213 3431
214 3455
215 3479
216 3503
217 3527
218 3539
219 3551
220 3575
221 3599
222 3623
223 3647
224 3659
225 3671
226 3683
227 3695
228 3719
229 3743
230 3767
231 3779
232 3791
233 3815
234 3839
235 3843
236 3847
237 3859
238 3871
239 3883
240 3895
241 3919
242 3943
243 3967
244 3991
245 4015
246 4039
247 4063
248 4087
249 4111
250 4123
251 4135
252 4159
253 4183
254 4207
255 4231
256 4255
257 4279
258 4285
259 4309
260 4333
261 4357
262 4381
263 4405
264 4429
265 4453
266 4477
267 4489
268 4501
269 4513
270 4525
271 4549
272 4573
273 4585
274 4597
275 4609
276 4621
277 4633
278 4645
279 4657
280 4669
281 4693
282 4705
283 4717
284 4741
285 4765
286 4789
287 4813
288 4837
289 4861
290 4885
291 4909
292 4933
293 4957
294 4969
295 4981
296 5005
297 5029
298 5041
299 5053
300 5065
301 5077
302 5089
303 5101
304 5113
305 5137
306 5161
307 5173
308 5185
309 5209
310 5233
311 5257
312 5281
313 5305
314 5329
315 5353
316 5377
317 5401
318 5425
319 5449
320 5473
321 5497
322 5521
323 5525
324 5529
325 5553
326 5577
327 5589
328 5601
329 5613
330 5625
331 5649
332 5673
333 5697
334 5721
335 5745
336 5769
337 5793
338 5817
339 5841
340 5865
341 5889
342 5913
343 5937
344 5961
345 5985
346 5997
347 6009
348 6021
349 6033
350 6057
351 6081
352 6093
353 6105
354 6111
355 6123
356 6135
357 6159
358 6183
359 6195
360 6207
361 6231
362 6243
363 6255
364 6279
365 6303
366 6315
367 6327
368 6351
369 6375
370 6399
371 6423
372 6435
373 6447
374 6459
375 6471
376 6495
377 6519
378 6543
379 6567
380 6591
381 6615
382 6627
383 6639
384 6663
385 6687
386 6711
387 6735
388 6747
389 6759
390 6783
391 6807
392 6831
393 6855
394 6867
395 6879
396 6903
397 6927
398 6951
399 6975
400 6987
401 6999
402 7023
403 7047
404 7071
405 7095
406 7119
407 7143
408 7167
409 7191
410 7215
411 7239
412 7243
413 7247
414 7259
415 7271
416 7283
417 7295
418 7319
419 7343
420 7367
421 7391
422 7415
423 7439
424 7463
425 7487
426 7511
427 7535
428 7559
429 7583
430 7607
431 7631
432 7655
433 7679
434 7703
435 7727
436 7739
437 7751
438 7775
439 7799
440 7811
441 7823
442 7835
443 7847
444 7859
445 7871
446 7883
447 7895
448 7919
449 7943
450 7955
451 7967
452 7991
453 8003
454 8027
455 8051
456 8075
457 8099
458 8123
459 8147
460 8171
461 8195
462 8219
463 8243
464 8267
465 8291
466 8303
467 8315
468 8327
469 8339
470 8351
471 8363
472 8369
473 8393
474 8417
475 8441
476 8465
477 8489
478 8513
479 8537
480 8561
481 8585
482 8609
483 8621
484 8633
485 8645
486 8657
487 8669
488 8681
489 8693
490 8705
491 8729
492 8753
493 8777
494 8801
495 8825
496 8849
497 8873
498 8885
499 8897
500 8921
501 8945
502 8969
503 8993
504 9017
505 9041
506 9065
507 9089
508 9113
509 9137
510 9161
511 9185
512 9209
513 9233
514 9257
515 9281
516 9305
517 9317
518 9329
519 9353
520 9377
521 9381
522 9385
523 9397
524 9409
525 9433
526 9457
527 9481
528 9505
529 9529
530 9553
531 9577
532 9601
533 9625
534 9649
535 9673
536 9697
537 9721
538 9733
539 9745
540 9769
541 9793
542 9817
543 9841
544 9853
545 9865
546 9877
547 9889
548 9913
549 9937
550 9961
551 9985
552 9997
553 10009
554 10033
555 10057
556 10081
557 10093
558 10105
559 10117
560 10129
561 10153
562 10177
563 10189
564 10201
565 10213
566 10225
567 10237
568 10249
569 10261
570 10273
571 10297
572 10321
573 10345
574 10369
575 10393
576 10417
577 10441
578 10465
579 10489
580 10501
581 10513
582 10537
583 10561
584 10585
585 10609
586 10633
587 10657
588 10681
589 10705
590 10729
591 10753
592 10777
593 10789
594 10801
595 10825
596 10849
597 10861
598 10873
599 10897
600 10921
601 10945
602 10969
603 10993
604 11017
605 11041
606 11065
607 11089
608 11113
609 11125
610 11131
611 11143
612 11167
613 11191
614 11215
615 11239
616 11263
617 11287
618 11311
619 11323
620 11335
621 11359
622 11383
623 11407
624 11431
625 11455
626 11479
627 11503
628 11527
629 11539
630 11551
631 11563
632 11575
633 11587
634 11599
635 11623
636 11647
637 11671
638 11695
639 11719
640 11743
641 11767
642 11791
643 11815
644 11839
645 11863
646 11887
647 11911
648 11935
649 11939
650 11943
651 11967
652 11991
653 12015
654 12039
655 12051
656 12075
657 12099
658 12123
659 12147
660 12171
661 12195
662 12207
663 12219
664 12231
665 12243
666 12267
667 12291
668 12315
669 12339
670 12363
671 12387
672 12399
673 12411
674 12435
675 12459
676 12483
677 12507
678 12519
679 12531
680 12555
681 12579
682 12603
683 12627
684 12639
685 12651
686 12663
687 12675
688 12687
689 12699
690 12711
691 12723
692 12735
693 12759
694 12783
695 12807
696 12831
697 12855
698 12879
699 12891
700 12915
701 12939
702 12951
703 12975
704 12999
705 13023
706 13047
707 13071
708 13095
709 13107
710 13119
711 13143
712 13167
713 13191
714 13215
715 13239
716 13251
717 13275
718 13299
719 13323
720 13335
721 13359
722 13371
723 13383
724 13407
725 13419
726 13443
727 13455
728 13479
729 13503
730 13527
731 13539
732 13563
733 13587
734 13611
735 13635
736 13659
737 13683
738 13707
739 13731
740 13743
741 13767
742 13791
743 13803
744 13827
745 13851
746 13863
747 13887
748 13911
749 13935
750 13959
751 13983
752 13995
753 14019
754 14043
755 14067
756 14091
757 14115
758 14139
759 14163
760 14187
761 14211
762 14223
763 14247
764 14271
765 14295
766 14307
767 14331
768 14343
769 14355
770 14367
771 14379
772 14403
773 14427
774 14451
775 14475
776 14499
777 14523
778 14535
779 14547
780 14571
781 14595
782 14619
783 14643
784 14667
785 14691
786 14715
787 14739
788 14763
789 14775
790 14787
791 14811
792 14835
793 14859
vkbsign: 1.0 1.0 0.0 -1.0 0.0 1.0 -1.0 -1.0
k eigenvalues [eV]
1 -12.68 -12.68 -12.68 -12.58 -12.58 -10.57 2.20 2.20 2.20
3.81
5.91 5.91 5.91 10.63 12.24 12.24 14.61 14.61 14.61
17.68
26.62 26.62 26.62 29.78 29.78 29.78 30.48 30.48 31.94
31.94
31.94 38.48 41.69 41.69 43.78 43.78 43.78 45.14 45.83
45.83
45.83 47.79 47.79 47.79 48.00 48.00 48.00 48.38 48.38
48.38
49.34 49.34 49.34 50.66 53.76 53.76 54.29 55.56 55.56
55.56
56.83 56.83 56.83 59.88 67.58 69.36 69.36 71.28 71.28
71.28
74.29 74.29 74.29 76.23 78.16 78.16 78.16 82.94 82.94
83.12
83.12 83.12 84.77 84.77 84.77 86.93 88.14 88.14 88.14
89.04
89.04 91.53 91.53 91.53 93.15 93.15 93.15 93.58 93.58
93.58
2 -12.70 -12.67 -12.67 -12.58 -12.57 -10.23 0.08 1.50 1.62
4.96
5.66 6.90 7.08 10.52 12.12 12.14 14.37 15.77 16.58
20.23
23.55 23.63 25.54 27.74 27.78 30.68 30.71 32.22 33.26
34.12
35.34 38.21 39.56 40.40 40.72 41.07 41.98 42.89 43.96
44.21
44.93 45.50 45.96 47.20 47.65 48.50 48.80 49.13 50.70
50.72
51.20 51.29 52.55 52.80 54.00 54.79 54.98 55.99 56.15
58.03
58.96 61.66 61.67 63.03 64.83 67.10 67.18 68.98 69.45
70.98
72.19 73.53 74.55 76.94 77.62 78.06 79.11 79.83 81.22
82.14
82.80 83.10 83.53 84.05 85.36 85.62 86.42 86.53 86.99
87.84
87.90 88.64 89.20 89.21 90.00 90.54 91.87 92.33 92.51
93.36
3 -12.74 -12.66 -12.66 -12.58 -12.57 -9.34 -2.78 0.94 0.94
4.53
6.52 7.44 8.74 11.30 12.30 12.49 16.35 18.52 19.30
20.06
20.46 21.86 24.64 27.62 27.89 29.71 31.45 31.72 32.71
33.23
33.94 36.48 37.42 38.06 39.40 40.10 40.60 41.40 42.37
43.26
44.35 44.42 45.83 46.01 46.49 48.75 49.43 51.23 51.24
52.05
53.56 55.14 55.58 56.95 57.16 57.90 58.67 60.44 60.69
61.39
61.42 62.66 63.54 63.92 64.78 65.19 66.13 66.55 68.19
70.12
70.77 71.36 73.68 73.92 75.32 75.80 76.56 77.15 77.79
78.69
78.77 81.20 81.49 83.06 83.51 83.83 84.15 85.33 85.95
87.03
87.12 88.03 88.82 89.19 90.07 90.59 92.20 92.99 93.53
93.88
4 -12.73 -12.66 -12.66 -12.59 -12.57 -9.76 -1.18 0.74 0.77
4.75
5.97 7.94 8.08 10.06 12.71 13.63 15.39 16.68 17.69
21.23
21.29 22.93 24.63 25.54 27.09 30.72 31.34 32.36 33.93
34.32
35.99 36.81 38.09 38.94 39.66 40.21 41.64 42.21 42.78
43.22
44.41 44.61 45.57 46.51 48.09 48.24 49.14 49.64 50.08
51.52
52.70 53.49 53.78 53.80 55.20 56.76 57.53 57.56 59.13
59.43
61.50 62.66 64.12 64.14 66.11 66.71 67.54 67.77 69.33
70.06
71.81 72.38 73.99 74.22 76.33 76.35 77.39 77.56 78.94
79.55
80.60 81.29 81.29 82.52 82.70 84.31 84.40 86.54 86.87
87.40
88.22 89.16 89.61 89.96 90.66 91.19 92.07 92.20 92.86
93.40
5 -12.74 -12.66 -12.66 -12.58 -12.57 -9.54 -1.96 0.15 1.25
5.23
6.16 7.66 7.97 10.56 12.62 13.50 15.35 17.65 19.25
19.63
21.38 23.08 24.47 25.87 27.32 29.70 31.65 32.41 33.07
34.25
34.81 37.31 37.90 38.69 39.39 39.68 41.07 41.63 42.17
42.58
44.55 44.92 45.50 46.83 47.27 48.25 48.55 49.92 51.19
52.39
53.53 53.98 54.58 55.78 56.91 57.30 58.38 58.93 59.96
60.61
61.54 62.17 62.82 64.01 65.01 65.63 66.69 68.49 69.55
70.56
71.41 71.83 72.83 73.71 74.54 76.17 76.72 77.57 78.56
79.31
80.51 81.32 82.27 83.25 83.83 84.27 84.77 85.29 86.17
86.77
87.69 87.92 88.88 89.44 90.11 90.45 91.44 92.16 92.73
93.68
6 -12.76 -12.65 -12.65 -12.57 -12.57 -8.38 -4.62 0.42 0.83
4.25
6.64 7.17 10.43 12.28 13.88 13.90 15.22 16.26 17.72
21.76
23.66 24.14 25.22 26.89 27.73 28.90 29.13 30.45 32.31
32.68
32.72 34.18 35.28 36.51 37.11 38.38 39.73 41.31 42.43
43.04
44.72 44.98 47.74 47.76 48.77 50.08 50.69 51.95 53.35
53.95
54.37 55.28 55.59 56.63 58.57 58.94 59.17 60.57 60.62
62.81
62.82 64.52 64.94 65.16 65.77 66.42 68.07 68.10 68.40
69.25
70.49 71.12 71.37 72.10 72.78 74.19 74.36 74.75 75.35
76.09
77.36 79.52 79.59 80.72 81.17 83.08 83.59 84.10 85.37
86.45
87.76 88.74 89.66 90.00 90.87 91.51 92.34 92.42 92.92
93.08
7 -12.76 -12.65 -12.64 -12.58 -12.56 -8.74 -3.57 -0.18 0.42
4.82
6.70 8.25 8.31 12.43 13.63 13.81 16.23 17.13 19.31
20.48
21.26 22.63 25.95 25.97 26.84 28.29 30.54 31.90 32.33
32.61
33.55 34.26 37.20 37.82 38.28 39.52 39.60 40.78 42.06
43.65
43.97 46.11 46.76 47.16 48.18 49.60 50.26 51.34 52.01
52.47
53.07 54.71 56.03 57.00 57.20 58.05 59.78 60.42 60.83
63.24
63.35 64.44 64.47 65.63 65.74 67.01 67.13 67.23 68.33
69.30
70.29 70.33 71.39 72.26 73.84 74.54 75.94 76.62 77.17
77.57
79.29 80.16 80.68 81.11 82.16 82.80 83.36 84.14 85.00
86.01
86.61 87.89 88.50 88.93 89.56 90.42 91.94 92.48 92.86
93.39
8 -12.76 -12.65 -12.65 -12.58 -12.57 -8.47 -4.18 -0.32 0.68
4.95
6.47 7.75 9.66 12.10 13.13 14.44 15.24 17.40 19.49
20.21
22.15 23.99 25.82 26.37 27.39 28.81 29.51 29.95 31.48
32.84
33.74 35.06 35.62 36.33 37.61 38.44 40.59 41.28 42.29
43.18
44.58 45.65 46.62 47.62 48.52 49.26 50.65 51.75 53.62
54.06
54.83 55.06 55.77 56.72 57.64 58.66 59.68 60.25 60.86
61.71
62.98 63.82 64.50 65.23 66.01 66.64 67.41 68.46 68.67
69.36
70.37 70.80 71.28 72.35 73.33 74.03 75.46 75.80 75.99
76.82
79.01 79.28 80.69 80.99 82.66 83.28 83.95 84.36 85.22
85.51
85.80 87.12 87.79 88.32 90.01 90.60 91.24 92.52 93.29
94.34
9 -12.76 -12.64 -12.64 -12.60 -12.56 -9.09 -2.47 -0.06 0.13
4.23
5.60 8.95 9.41 11.14 13.45 15.27 16.90 17.96 18.78
19.20
19.49 22.46 23.51 26.12 27.53 29.23 31.49 31.52 32.36
32.48
35.46 36.31 36.48 38.26 39.12 40.92 41.84 42.08 42.77
43.07
43.89 44.82 45.78 46.63 47.42 47.73 49.04 49.99 51.61
51.71
52.42 54.90 55.19 55.89 56.07 58.87 59.26 59.74 61.04
61.54
62.54 63.67 64.35 65.06 65.51 68.05 69.01 69.79 70.57
71.39
71.77 71.82 72.48 73.12 73.44 74.52 75.58 75.68 76.73
77.06
78.03 78.37 79.78 80.01 80.70 82.17 82.98 85.48 86.69
87.60
88.52 88.52 89.07 90.26 90.55 91.36 91.87 93.00 93.23
93.70
10 -12.76 -12.65 -12.64 -12.59 -12.56 -8.90 -2.95 -0.56 0.36
5.05
6.30 7.69 9.22 11.57 14.00 14.57 16.06 17.90 18.84
19.61
21.08 22.67 24.70 25.91 27.12 28.50 30.45 30.99 32.44
33.73
34.48 35.48 37.23 37.85 38.93 39.44 40.38 41.04 41.79
43.27
44.53 45.53 46.76 47.44 48.16 48.74 49.78 50.70 50.85
51.87
53.38 54.78 55.32 56.48 57.61 58.48 59.17 60.35 61.22
61.88
62.73 64.22 64.77 65.00 65.33 66.92 67.82 68.57 69.45
69.72
70.77 71.39 72.21 73.35 73.85 74.13 75.30 76.16 77.09
77.38
78.23 79.71 80.93 81.50 82.47 82.70 83.87 84.85 85.79
86.35
87.09 87.53 88.14 89.28 89.96 90.61 91.10 91.98 92.76
93.12
11 -12.76 -12.65 -12.64 -12.58 -12.57 -8.55 -3.58 -1.20 0.61
5.58
6.72 7.82 9.13 11.20 13.41 15.13 15.67 17.79 19.21
20.97
21.37 23.57 24.86 26.11 27.44 28.60 29.66 30.11 30.73
32.92
33.31 35.84 36.75 37.83 38.17 39.06 39.70 41.11 42.03
43.14
44.20 45.55 45.78 47.51 48.63 50.37 51.03 51.68 52.02
53.68
54.38 55.18 56.42 57.13 57.80 58.48 59.21 60.25 60.55
61.52
62.89 63.43 64.15 64.57 65.17 66.35 67.43 68.56 69.41
69.93
70.25 70.83 72.02 73.19 73.61 74.43 75.68 76.67 77.46
78.12
78.60 79.93 80.70 81.00 81.96 83.18 83.63 84.19 85.13
85.92
86.49 86.82 87.38 88.34 89.24 90.02 90.42 91.50 92.20
93.16
12 -12.75 -12.66 -12.66 -12.57 -12.57 -8.96 -3.59 0.39 1.21
4.38
6.93 6.98 9.65 11.53 12.09 13.53 16.16 18.31 19.27
19.68
20.95 22.71 25.83 27.28 28.41 29.06 30.41 30.62 32.29
32.44
34.32 35.83 36.88 37.09 37.71 39.19 40.20 42.25 42.63
43.35
43.91 44.43 45.82 46.32 47.96 49.00 49.90 50.43 52.35
54.47
55.32 55.46 55.84 57.06 57.72 58.03 59.36 60.00 60.47
61.83
62.02 63.25 64.04 64.42 64.60 65.91 66.86 67.82 68.22
69.55
69.89 71.60 72.33 73.67 73.92 74.24 75.56 75.75 76.74
78.17
79.02 79.76 80.57 82.37 82.98 84.09 84.62 84.92 85.42
86.01
87.38 87.84 88.91 89.73 90.31 90.41 91.74 92.61 92.63
94.27
13 -12.76 -12.65 -12.64 -12.58 -12.57 -8.18 -4.50 -0.74 0.63
4.86
6.82 7.80 10.30 12.19 12.63 14.08 16.05 17.83 18.53
20.87
23.45 23.90 25.33 27.01 27.27 27.75 28.24 31.33 31.57
32.45
32.92 33.15 34.66 37.32 38.23 38.71 39.74 40.28 43.15
43.41
44.42 45.57 47.14 47.63 49.54 49.70 51.35 51.74 53.20
53.98
54.65 56.24 57.06 57.09 58.18 58.30 58.96 59.83 60.55
61.64
62.76 63.52 63.81 65.64 66.15 66.72 68.12 68.68 69.03
70.05
70.43 70.75 71.64 72.02 73.10 73.94 74.97 76.00 77.43
77.69
78.68 79.11 79.58 80.12 80.31 81.74 83.37 84.31 85.07
85.80
86.61 86.97 88.44 88.88 89.64 90.51 91.19 91.80 92.07
93.55
14 -12.77 -12.64 -12.63 -12.59 -12.56 -8.08 -4.17 -1.23 0.03
4.51
7.03 8.69 9.24 12.98 13.99 15.31 15.77 16.83 20.48
21.11
21.44 23.47 24.36 24.75 25.78 28.86 29.73 30.60 31.75
31.90
33.42 33.65 35.54 36.73 38.12 40.13 40.50 41.24 42.58
43.04
43.34 46.53 46.90 48.62 49.48 49.75 50.91 51.26 52.22
54.12
54.28 54.75 55.22 56.10 57.24 59.55 60.28 60.39 62.29
62.84
63.53 64.02 64.36 65.28 65.87 67.14 67.79 68.10 69.07
69.38
70.61 71.03 72.00 73.20 73.86 75.05 75.62 76.35 76.83
77.08
78.42 78.48 79.67 80.19 81.23 81.81 83.78 84.05 84.46
85.61
86.00 86.93 87.06 87.81 88.77 90.54 90.62 91.45 92.14
92.92
15 -12.77 -12.65 -12.64 -12.58 -12.57 -8.00 -4.45 -1.20 0.13
5.20
6.77 8.53 9.68 11.59 14.11 14.81 15.40 17.90 19.69
20.99
22.49 23.61 24.98 26.16 26.62 27.86 29.12 30.28 30.88
32.51
33.05 34.53 34.66 36.51 37.39 38.25 39.88 41.63 42.90
43.81
45.46 46.19 47.15 47.72 49.09 49.63 50.54 51.08 53.65
54.55
55.00 56.00 56.53 57.47 57.86 58.32 59.22 59.77 60.99
61.90
62.86 63.39 63.96 64.73 65.82 67.51 68.17 68.69 68.94
69.85
70.14 71.60 72.38 72.85 74.34 74.66 75.05 75.26 76.49
77.12
78.51 79.48 80.18 80.87 81.59 82.29 83.18 83.54 84.17
85.17
85.65 86.21 87.16 88.14 89.50 89.88 90.65 91.18 92.36
93.16
16 -12.78 -12.63 -12.62 -12.60 -12.56 -8.29 -3.71 -0.63 -0.34
3.91
4.85 10.35 10.77 12.54 14.15 16.10 17.08 17.77 18.72
20.02
20.61 21.84 21.93 25.86 26.57 28.59 28.80 30.73 32.19
33.06
33.37 36.25 36.33 37.53 38.33 41.21 41.96 42.07 43.05
43.35
43.93 44.73 46.02 46.25 47.43 48.12 49.04 49.74 50.46
54.48
54.54 56.77 56.99 57.48 57.49 58.80 59.66 60.68 60.84
62.19
62.66 63.06 66.01 66.08 67.69 67.88 68.27 69.17 69.57
71.19
71.68 71.77 72.44 73.21 73.54 73.98 75.08 76.09 76.11
76.75
77.41 78.38 79.39 79.82 80.58 80.64 82.44 82.96 84.86
84.95
85.72 86.38 87.40 88.89 90.08 91.00 91.66 92.34 93.27
93.32
17 -12.78 -12.64 -12.63 -12.60 -12.56 -8.16 -3.89 -1.11 -0.35
4.69
5.88 8.67 10.63 12.53 14.68 15.09 16.70 17.42 18.91
20.61
21.42 23.17 23.58 25.04 25.78 28.00 29.82 30.49 32.04
32.80
33.49 34.34 35.81 37.24 39.03 39.49 40.05 41.68 43.13
43.70
44.30 45.35 46.55 47.21 48.43 50.00 50.46 51.19 51.65
52.74
54.39 54.81 55.73 57.06 58.04 58.98 60.06 60.96 61.52
62.52
63.79 64.24 64.39 65.51 66.45 67.04 67.98 68.68 69.53
70.13
70.68 71.64 72.46 72.85 73.97 74.25 74.96 75.86 76.19
77.53
78.36 78.59 79.56 80.14 81.85 82.39 83.21 83.77 84.75
85.45
86.26 86.45 87.47 87.98 89.42 89.83 90.18 91.23 91.66
92.08
18 -12.77 -12.65 -12.63 -12.59 -12.57 -7.93 -4.18 -1.60 -0.32
5.99
6.71 7.60 10.54 11.31 13.66 15.95 16.51 18.06 19.06
20.31
22.94 23.46 24.61 25.62 26.11 27.16 29.46 29.90 31.66
32.29
32.99 34.15 35.31 35.97 38.12 39.07 39.29 41.88 43.07
43.92
45.29 46.84 47.07 47.75 48.79 49.42 50.20 51.44 52.85
53.78
55.45 56.02 56.72 57.18 58.10 58.85 59.11 60.74 61.17
61.44
61.87 63.13 64.07 65.61 66.16 66.67 67.59 68.75 69.18
69.99
70.76 71.70 72.71 73.21 73.78 74.36 75.37 75.87 77.68
78.42
78.97 79.24 80.17 81.06 81.92 82.21 82.77 83.34 84.01
85.01
85.77 86.40 86.96 87.57 87.95 89.11 89.90 90.37 91.64
92.37
19 -12.77 -12.64 -12.63 -12.59 -12.57 -7.71 -4.43 -1.91 -0.15
5.06
7.69 8.65 10.03 10.90 12.94 16.50 16.90 18.78 19.35
19.77
22.27 23.72 25.02 26.07 26.57 27.22 28.61 29.79 30.20
31.66
33.11 34.02 35.66 36.74 37.52 37.83 41.14 41.84 42.95
43.86
44.60 45.13 46.58 48.22 49.26 50.47 52.29 52.81 53.60
54.06
54.73 55.67 56.63 57.14 58.08 58.39 59.22 60.13 61.00
61.86
62.16 62.38 63.51 65.26 65.54 66.47 67.38 68.54 69.77
70.88
71.39 71.94 72.76 73.92 74.19 74.97 75.60 76.65 77.40
78.07
78.49 79.49 79.85 80.32 80.79 81.69 82.50 82.80 83.70
85.09
85.79 86.31 86.96 87.58 88.38 88.86 89.85 90.29 91.73
92.44
20 -12.71 -12.67 -12.67 -12.58 -12.57 -10.00 -0.91 0.93 1.85
4.82
6.49 6.57 7.73 10.62 11.66 12.63 14.45 16.54 18.29
21.12
21.51 23.49 24.03 27.14 28.42 30.26 31.32 32.22 33.40
34.73
35.04 38.30 38.34 40.09 40.42 40.46 41.05 42.41 42.77
43.98
44.60 44.70 45.55 46.33 47.11 48.34 49.01 49.59 50.42
50.52
52.10 53.30 53.31 54.86 55.48 55.78 56.78 57.60 58.51
58.68
60.38 60.94 62.67 63.20 64.28 66.20 66.49 68.54 68.97
70.04
71.31 73.76 74.09 75.14 76.85 78.13 78.72 79.22 80.63
81.53
82.05 82.85 82.88 83.98 84.75 84.87 85.42 85.59 86.34
87.20
87.35 88.00 88.77 89.18 90.70 91.12 91.38 92.30 92.52
93.13
21 -12.75 -12.66 -12.65 -12.58 -12.57 -9.12 -2.82 -0.58 1.28
5.23
7.14 7.28 8.36 10.47 13.34 14.13 15.45 17.56 19.35
20.92
21.00 23.01 25.20 25.39 27.34 29.80 30.98 31.16 32.18
32.38
34.65 37.00 37.19 38.07 39.72 39.92 40.43 41.03 41.62
42.69
43.88 43.90 45.35 46.73 47.30 49.01 51.15 51.21 52.19
52.84
54.60 54.89 55.92 56.94 57.30 58.17 59.01 59.09 60.38
60.90
62.02 62.24 63.85 64.30 65.54 65.99 66.20 67.20 69.47
70.27
70.83 71.12 72.77 73.53 74.08 75.14 76.55 77.08 77.70
77.70
80.27 80.41 81.03 81.08 82.79 83.97 84.68 85.27 86.31
86.93
88.14 88.23 89.06 89.19 89.93 90.53 90.97 91.38 92.46
92.91
22 -12.77 -12.65 -12.64 -12.58 -12.57 -8.12 -4.10 -1.70 0.51
4.92
7.79 8.53 9.48 11.40 11.69 15.64 17.01 18.46 19.18
19.76
22.90 23.28 25.85 26.62 26.66 27.92 28.76 30.00 30.70
31.24
33.19 33.57 36.14 38.04 38.29 39.43 40.02 41.33 42.54
42.82
43.08 45.31 45.72 48.69 49.77 51.23 51.97 52.06 53.67
54.00
54.88 55.01 56.16 57.24 57.99 58.49 59.72 59.89 61.03
61.28
62.78 62.83 63.20 64.46 65.78 66.35 66.55 67.39 70.07
70.36
70.72 72.52 72.61 73.58 74.78 74.91 75.27 76.60 76.91
77.81
79.10 79.62 79.66 81.07 81.13 82.76 82.84 83.25 83.31
84.56
84.65 85.45 87.98 89.34 89.63 90.49 90.50 91.71 92.40
92.81
23 -12.78 -12.63 -12.62 -12.60 -12.56 -7.57 -4.56 -1.88 -0.18
4.26
6.93 9.94 10.19 11.87 12.94 16.49 17.61 17.88 19.56
20.61
21.43 23.21 24.55 25.55 26.26 27.21 27.25 29.81 31.18
31.75
33.68 34.09 35.98 37.00 37.78 40.34 40.40 41.05 42.34
42.92
44.43 44.56 46.99 48.48 49.76 50.12 51.33 53.16 53.31
54.50
54.91 56.09 56.68 57.33 57.39 58.19 58.67 59.92 60.77
60.97
62.35 63.25 64.70 66.12 66.82 67.84 68.02 69.02 70.03
70.16
71.17 71.68 72.13 73.35 73.79 74.81 74.88 76.20 76.48
77.87
78.82 79.58 79.87 80.61 81.30 82.07 82.28 83.74 83.88
84.98
85.04 86.17 86.84 87.56 89.06 89.12 89.44 90.16 91.16
91.74
24 -12.79 -12.62 -12.62 -12.61 -12.55 -7.58 -4.65 -0.92 -0.58
3.80
4.36 11.72 11.99 13.32 14.30 15.37 16.01 17.84 19.80
20.56
21.92 22.60 23.42 24.10 25.09 25.65 26.52 30.03 33.02
33.75
34.82 36.05 36.22 37.38 38.07 40.86 41.16 41.76 41.93
42.60
43.63 44.49 46.10 47.49 47.58 48.09 49.12 51.71 52.17
55.10
55.62 56.56 57.15 57.73 58.84 59.87 60.17 61.17 61.49
61.75
63.15 63.30 64.72 65.76 66.33 66.57 67.49 67.59 70.00
70.64
72.09 72.55 72.86 73.08 73.50 75.37 75.97 77.23 77.41
77.65
78.76 79.09 79.58 79.79 80.58 81.55 81.89 82.34 82.81
83.39
84.46 85.11 86.07 86.42 88.62 89.10 90.23 90.70 92.28
92.43
25 -12.79 -12.63 -12.62 -12.60 -12.56 -7.53 -4.60 -1.44 -0.71
4.49
5.56 9.99 11.18 12.77 14.35 15.41 16.66 18.66 19.44
21.13
21.26 22.65 23.85 24.79 25.39 26.64 27.89 29.52 31.45
32.93
33.90 35.08 35.98 36.93 38.70 39.39 39.93 41.88 42.61
43.50
44.10 44.80 46.58 47.32 48.67 50.26 51.13 52.00 52.86
54.54
55.28 56.00 56.60 57.24 58.04 58.58 59.15 59.51 61.39
62.09
62.89 64.36 65.35 65.70 66.25 67.04 68.43 68.99 69.85
70.23
71.40 71.60 72.23 72.53 74.07 74.82 75.26 75.55 76.79
77.98
78.62 79.22 80.14 80.42 81.69 82.11 82.79 83.32 84.17
85.05
85.41 86.64 86.72 87.27 88.05 88.66 88.84 90.00 90.70
90.81
26 -12.78 -12.64 -12.62 -12.59 -12.57 -7.47 -4.56 -1.75 -0.97
5.89
7.01 8.15 9.53 12.58 14.61 15.34 16.98 18.37 20.21
20.84
21.65 22.97 23.74 24.83 26.95 27.40 29.20 29.93 30.99
31.32
32.03 33.69 35.02 36.44 38.11 39.06 40.88 41.60 42.81
43.49
45.00 45.84 47.59 48.41 49.77 50.52 51.16 51.86 53.22
54.08
55.00 55.45 55.94 57.23 57.73 58.78 59.48 60.19 61.06
62.65
62.99 63.85 64.01 64.86 65.72 66.40 67.38 68.15 69.29
69.70
71.07 72.13 73.02 73.77 74.54 75.59 75.96 76.81 77.52
78.64
78.90 79.57 80.16 80.64 81.15 81.74 82.34 82.92 83.63
84.69
84.99 86.11 86.69 87.34 87.94 88.44 89.32 90.13 91.25
91.73
27 -12.69 -12.68 -12.68 -12.58 -12.58 -10.48 1.23 2.08 2.08
4.33
6.10 6.10 6.13 11.10 11.83 11.83 14.17 15.33 15.33
18.46
25.52 25.82 25.82 29.14 29.14 30.47 30.50 30.50 32.02
33.42
33.42 38.89 40.77 40.77 42.01 43.37 43.37 44.04 45.54
45.54
46.09 46.44 46.44 46.91 47.60 47.70 47.70 49.36 49.62
49.62
51.02 51.02 51.06 51.28 52.70 54.08 54.08 54.83 55.45
55.45
58.19 58.19 59.10 61.80 66.89 67.69 67.69 70.61 71.47
71.47
73.06 74.33 74.33 77.73 78.04 78.43 78.43 81.11 81.11
83.43
83.43 84.12 84.91 85.70 85.70 85.78 86.25 86.25 88.32
89.54
89.54 89.75 89.85 90.94 90.94 92.21 92.21 92.47 93.50
93.50
28 -12.72 -12.67 -12.67 -12.57 -12.57 -9.77 -1.85 1.48 1.48
4.16
6.83 6.83 8.39 11.30 11.30 11.87 15.13 18.53 18.53
21.09
21.74 21.74 22.60 28.84 28.84 31.01 31.10 31.10 32.64
34.26
34.26 36.68 39.54 39.54 40.46 41.33 41.33 41.87 42.21
42.49
42.49 44.76 46.17 46.45 46.45 48.53 48.53 48.96 52.09
52.09
52.53 53.75 53.75 56.14 56.84 56.84 57.04 58.06 60.55
60.55
62.15 62.87 62.87 63.22 63.22 64.27 65.45 66.62 66.62
70.90
72.26 73.37 73.37 76.56 76.56 76.74 78.40 78.72 78.72
81.04
81.04 81.51 81.68 83.82 83.82 84.17 84.17 84.39 85.82
87.74
87.93 87.93 90.03 90.57 90.57 91.94 91.94 92.95 93.24
93.24
29 -12.76 -12.66 -12.66 -12.57 -12.57 -8.67 -4.28 1.05 1.05
3.74
6.88 6.88 10.23 12.17 13.05 13.05 16.48 17.20 17.20
20.61
23.09 23.09 25.95 28.10 28.10 28.62 30.29 30.29 32.26
32.26
33.51 34.01 36.10 37.78 37.78 39.68 39.83 39.83 39.98
45.35
45.40 45.40 46.98 46.98 48.21 48.80 48.80 50.25 54.37
54.37
55.07 55.81 56.81 56.81 58.23 58.23 58.74 60.24 60.24
62.22
63.41 63.41 63.65 64.99 66.08 66.08 67.91 68.41 68.41
69.61
69.61 71.04 71.36 72.65 72.65 73.60 75.15 75.15 75.24
77.59
77.59 78.77 81.31 81.63 81.63 82.91 82.91 84.18 86.56
87.77
88.36 88.36 90.20 90.20 91.20 91.27 91.27 92.93 94.14
94.19
test on the normalization of the wavefunctions
min sum_G |a(n,k,G)| = 0.981202
max sum_G |a(n,k,G)| = 0.999999
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) = 0.004424
-P-0000 timing point number 10
-P-0000 -cpu time = 5.67 seconds
-P-0000 -real time = 5.67 seconds
-P-0000
Bravais lattice: fcc
a = 10.23 [au] 5.42 Angstrom
real-space lattice vectors in cartesians [au]: 0.00 5.12 5.12
5.12 0.00 5.12
5.12 5.12 0.00
calculated reciprocal lattice vectors in cartesians [au]:
-0.6139 0.6139 0.6139
0.6139 -0.6139 0.6139
0.6139 0.6139 -0.6139
brillouin zone volume = 0.9256 [au]
unit cell volume = 267.99 [au]
shell g-vector radius [au]
0 1 0.000000
1 9 1.063365
2 15 1.227868
3 27 1.736468
4 51 2.036189
5 59 2.126730
6 65 2.455736
7 89 2.676077
8 113 2.745597
9 137 3.007650
10 169 3.190095
11 181 3.472935
12 229 3.632083
13 259 3.683604
14 283 3.882860
15 307 4.025835
16 331 4.072378
17 339 4.253460
18 387 4.384366
19 411 4.427141
20 459 4.594262
21 531 4.715717
22 537 4.911472
23 561 5.025267
24 609 5.062630
25 645 5.209403
26 701 5.316825
27 725 5.352153
28 749 5.491193
29 821 5.593205
30 869 5.626799
31 893 5.759212
32 941 5.856558
33 965 6.015301
34 1037 6.108567
35 1067 6.139341
shell probably closed at 1139
-P-0000 timing point number 20
-P-0000 -cpu time = 5.67 seconds
-P-0000 -real time = 5.67 seconds
-P-0000
setmesh: npwwfn = 1139 ; Max (m1,m2,m3) = 7 7 7
setmesh: npweps/npwsigx = 1139 ; Max (mm1,mm2,mm3) = 9 9 9
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 = 20x 20x 20
setmesh: total size of FFT array nr = 8000
G-table set up
-P-0000 timing point number 30
-P-0000 -cpu time = 5.69 seconds
-P-0000 -real time = 5.69 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 = 6.17 seconds
-P-0000 -real time = 6.17 seconds
-P-0000
identk : identifying k-points
number of k-points in irreducible wedge (IBZ) 29
k-points [reciprocal lattice units] weights
1 0.000000 0.000000 0.000000 0.020833
2 -0.083333 -0.166667 0.000000 0.500000
3 -0.083333 -0.333333 0.000000 0.500000
4 -0.166667 -0.250000 0.000000 0.500000
5 -0.083333 -0.250000 0.083333 1.000000
6 -0.083333 0.500000 0.000000 0.500000
7 -0.166667 -0.416667 0.000000 0.500000
8 -0.083333 -0.416667 0.083333 1.000000
9 -0.250000 -0.333333 0.000000 0.500000
10 -0.166667 -0.333333 0.083333 1.000000
11 -0.083333 -0.333333 0.166667 1.000000
12 -0.083333 0.333333 0.000000 0.500000
13 -0.166667 0.416667 0.000000 0.500000
14 -0.250000 0.500000 0.000000 0.500000
15 -0.166667 0.500000 0.083333 1.000000
16 -0.333333 -0.416667 0.000000 0.500000
17 -0.250000 -0.416667 0.083333 1.000000
18 -0.166667 -0.416667 0.166667 1.000000
19 -0.083333 -0.416667 0.250000 1.000000
20 -0.083333 0.166667 0.000000 0.500000
21 -0.166667 0.250000 0.000000 0.500000
22 -0.250000 0.333333 0.000000 0.500000
23 -0.333333 0.416667 0.000000 0.500000
24 -0.416667 0.500000 0.000000 0.500000
25 -0.333333 0.500000 0.083333 1.000000
26 -0.250000 0.500000 0.166667 1.000000
27 -0.083333 0.000000 0.000000 0.166667
28 -0.250000 0.000000 0.000000 0.166667
29 -0.416667 0.000000 0.000000 0.166667
together with the 24 symmetry operations and inversion
have yielded 865 k-points in Brillouin Zone (BZ):
1 0.000 0.000 0.000 -0.083-0.167 0.000 0.167 0.167 0.083 0.083
0.083-0.083
5-0.167-0.083 0.000 0.083-0.083 0.083 0.167 0.083 0.167 -0.083
0.000-0.167
9-0.167 0.000-0.083 0.000-0.167-0.083 0.083 0.167 0.167
0.000-0.083-0.167
13-0.083 0.083 0.083 0.083 0.167 0.000 -0.167-0.167-0.083 -0.083-0.083
0.083
17 0.167 0.083 0.000 -0.083 0.083-0.083 -0.167-0.083-0.167 0.083 0.000
0.167
21 0.167 0.000 0.083 0.000 0.167 0.083 -0.083-0.167-0.167 0.000 0.083
0.167
25 0.083-0.083-0.083 -0.083-0.333 0.000 0.333 0.333 0.250 0.083
0.083-0.250
29-0.333-0.083 0.000 0.083-0.250 0.083 0.333 0.250 0.333 -0.083
0.000-0.333
33-0.333 0.000-0.083 0.000-0.333-0.083 0.250 0.333 0.333
0.000-0.083-0.333
37-0.250 0.083 0.083 0.083 0.333 0.000 -0.333-0.333-0.250 -0.083-0.083
0.250
41 0.333 0.083 0.000 -0.083 0.250-0.083 -0.333-0.250-0.333 0.083 0.000
0.333
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733 0.917 0.417 0.417 0.417-0.500 0.000 0.500 0.500 0.917
-0.417-0.417-0.917
737-0.500 0.417 0.000 -0.417-0.917-0.417 0.500 0.917 0.500 0.417
0.000-0.500
741-0.500 0.000 0.417 0.000-0.500 0.417 0.917 0.500 0.500 0.000
0.417-0.500
745-0.917-0.417-0.417 -0.333 0.500 0.083 -0.417-0.500-0.833 0.333 0.417
0.833
749 0.417-0.417-0.083 0.333 0.833 0.417 -0.417-0.833-0.500 -0.333 0.083
0.500
753 0.417-0.083-0.417 0.417 0.833 0.333 -0.500-0.833-0.417 -0.417-0.083
0.417
757 0.500 0.083-0.333 -0.417 0.417-0.083 -0.500-0.417-0.833 0.417 0.333
0.833
761 0.500-0.333 0.083 -0.083 0.417-0.417 -0.833-0.417-0.500 0.083-0.333
0.500
765 0.833 0.333 0.417 0.083 0.500-0.333 -0.833-0.500-0.417 -0.083-0.417
0.417
769 0.833 0.417 0.333 0.333-0.500-0.083 0.417 0.500 0.833
-0.333-0.417-0.833
773-0.417 0.417 0.083 -0.333-0.833-0.417 0.417 0.833 0.500
0.333-0.083-0.500
777-0.417 0.083 0.417 -0.417-0.833-0.333 0.500 0.833 0.417 0.417
0.083-0.417
781-0.500-0.083 0.333 0.417-0.417 0.083 0.500 0.417 0.833
-0.417-0.333-0.833
785-0.500 0.333-0.083 0.083-0.417 0.417 0.833 0.417 0.500 -0.083
0.333-0.500
789-0.833-0.333-0.417 -0.083-0.500 0.333 0.833 0.500 0.417 0.083
0.417-0.417
793-0.833-0.417-0.333 -0.250 0.500 0.167 -0.333-0.500-0.750 0.250 0.417
0.750
797 0.333-0.417-0.167 0.250 0.750 0.417 -0.333-0.750-0.500 -0.250 0.167
0.500
801 0.333-0.167-0.417 0.417 0.750 0.250 -0.500-0.750-0.333 -0.417-0.167
0.333
805 0.500 0.167-0.250 -0.417 0.333-0.167 -0.500-0.333-0.750 0.417 0.250
0.750
809 0.500-0.250 0.167 -0.167 0.333-0.417 -0.750-0.333-0.500 0.167-0.250
0.500
813 0.750 0.250 0.417 0.167 0.500-0.250 -0.750-0.500-0.333 -0.167-0.417
0.333
817 0.750 0.417 0.250 0.250-0.500-0.167 0.333 0.500 0.750
-0.250-0.417-0.750
821-0.333 0.417 0.167 -0.250-0.750-0.417 0.333 0.750 0.500
0.250-0.167-0.500
825-0.333 0.167 0.417 -0.417-0.750-0.250 0.500 0.750 0.333 0.417
0.167-0.333
829-0.500-0.167 0.250 0.417-0.333 0.167 0.500 0.333 0.750
-0.417-0.250-0.750
833-0.500 0.250-0.167 0.167-0.333 0.417 0.750 0.333 0.500 -0.167
0.250-0.500
837-0.750-0.250-0.417 -0.167-0.500 0.250 0.750 0.500 0.333 0.167
0.417-0.333
841-0.750-0.417-0.250 -0.083 0.000 0.000 0.000 0.000-0.083 0.083 0.083
0.083
845 0.000-0.083 0.000 0.083 0.000 0.000 0.000 0.000 0.083
-0.083-0.083-0.083
849 0.000 0.083 0.000 -0.250 0.000 0.000 0.000 0.000-0.250 0.250 0.250
0.250
853 0.000-0.250 0.000 0.250 0.000 0.000 0.000 0.000 0.250
-0.250-0.250-0.250
857 0.000 0.250 0.000 -0.417 0.000 0.000 0.000 0.000-0.417 0.417 0.417
0.417
861 0.000-0.417 0.000 0.417 0.000 0.000 0.000 0.000 0.417
-0.417-0.417-0.417
865 0.000 0.417 0.000
-P-0000 timing point number 50
-P-0000 -cpu time = 6.26 seconds
-P-0000 -real time = 6.26 seconds
-P-0000
number of q-points found 29
find q-points q = k - k1 and translate in first BZ
q-points [reduced coordinates]
0.000010 0.000020 0.000030
-0.083333 -0.166667 0.000000
-0.083333 -0.333333 0.000000
-0.166667 -0.250000 0.000000
-0.083333 -0.250000 0.083333
-0.083333 -0.500000 0.000000
-0.166667 -0.416667 0.000000
-0.083333 -0.416667 0.083333
-0.250000 -0.333333 0.000000
-0.166667 -0.333333 0.083333
-0.083333 -0.333333 0.166667
-0.083333 0.333333 0.000000
-0.166667 0.416667 0.000000
-0.250000 -0.500000 0.000000
-0.166667 -0.500000 0.083333
-0.333333 -0.416667 0.000000
-0.250000 -0.416667 0.083333
-0.166667 -0.416667 0.166667
-0.083333 -0.416667 0.250000
-0.083333 0.166667 0.000000
-0.166667 0.250000 0.000000
-0.250000 0.333333 0.000000
-0.333333 -0.583333 0.000000
-0.416667 -0.500000 0.000000
-0.333333 -0.500000 0.083333
-0.250000 -0.500000 0.166667
-0.083333 0.000000 0.000000
-0.250000 0.000000 0.000000
-0.416667 0.000000 0.000000
-P-0000 timing point number 60
-P-0000 -cpu time = 6.41 seconds
-P-0000 -real time = 6.41 seconds
-P-0000
FFT wavefunctions to real space...
done
screening : writing wfs in real and G space on file
opening file: GaP_LDA_gwa_conv-1-1\2_WFR
opening file: GaP_LDA_gwa_conv-1-1\2_WFG
-P-0000 timing point number 70
-P-0000 -cpu time = 14.02 seconds
-P-0000 -real time = 14.02 seconds
-P-0000
fermi : total number of electrons = 18
fermi : input and calculated number of electrons differ by 0.00000000
top of valence [eV] 2.20
bottom of conduction [eV] 3.74
Fermi energy [eV] 2.97
density: calculating charge density
reading wavefunctions from file
total number of electrons per unit cell = 17.8542
average of density, n = 0.0666
r_s = 1.5302
omega_plasma = 24.8983 [eV]
-P-0000 timing point number 80
-P-0000 -cpu time = 15.24 seconds
-P-0000 -real time = 15.24 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 = 15.24 seconds
-P-0000 -real time = 15.24 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 = 15.24 seconds
-P-0000 -real time = 15.24 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
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: WARNING -
nkpt*nsppol is not a multiple of nproc
The k-point parallelisation is not efficient.
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 0
-P-0000 P screening : treating k-point 29 and spin 1 by node 0
-P-0000 P screening : treating k-point 30 and spin 1 by node 0
-P-0000 P screening : treating k-point 31 and spin 1 by node 0
-P-0000 P screening : treating k-point 32 and spin 1 by node 0
-P-0000 P screening : treating k-point 33 and spin 1 by node 0
-P-0000 P screening : treating k-point 34 and spin 1 by node 0
-P-0000 P screening : treating k-point 35 and spin 1 by node 0
-P-0000 P screening : treating k-point 36 and spin 1 by node 0
-P-0000 P screening : treating k-point 37 and spin 1 by node 0
-P-0000 P screening : treating k-point 38 and spin 1 by node 0
-P-0000 P screening : treating k-point 39 and spin 1 by node 0
-P-0000 P screening : treating k-point 40 and spin 1 by node 0
-P-0000 P screening : treating k-point 41 and spin 1 by node 0
-P-0000 P screening : treating k-point 42 and spin 1 by node 0
-P-0000 P screening : treating k-point 43 and spin 1 by node 0
-P-0000 P screening : treating k-point 44 and spin 1 by node 0
-P-0000 P screening : treating k-point 45 and spin 1 by node 0
-P-0000 P screening : treating k-point 46 and spin 1 by node 0
-P-0000 P screening : treating k-point 47 and spin 1 by node 0
-P-0000 P screening : treating k-point 48 and spin 1 by node 0
-P-0000 P screening : treating k-point 49 and spin 1 by node 0
-P-0000 P screening : treating k-point 50 and spin 1 by node 0
-P-0000 P screening : treating k-point 51 and spin 1 by node 0
-P-0000 P screening : treating k-point 52 and spin 1 by node 0
-P-0000 P screening : treating k-point 53 and spin 1 by node 0
-P-0000 P screening : treating k-point 54 and spin 1 by node 0
-P-0000 P screening : treating k-point 55 and spin 1 by node 0
-P-0000 P screening : treating k-point 56 and spin 1 by node 0
-P-0000 P screening : treating k-point 57 and spin 1 by node 0
-P-0000 P screening : treating k-point 58 and spin 1 by node 0
-P-0000 P screening : treating k-point 59 and spin 1 by node 0
-P-0000 P screening : treating k-point 60 and spin 1 by node 0
-P-0000 P screening : treating k-point 61 and spin 1 by node 0
-P-0000 P screening : treating k-point 62 and spin 1 by node 0
-P-0000 P screening : treating k-point 63 and spin 1 by node 0
-P-0000 P screening : treating k-point 64 and spin 1 by node 0
-P-0000 P screening : treating k-point 65 and spin 1 by node 0
-P-0000 P screening : treating k-point 66 and spin 1 by node 0
-P-0000 P screening : treating k-point 67 and spin 1 by node 0
-P-0000 P screening : treating k-point 68 and spin 1 by node 0
-P-0000 P screening : treating k-point 69 and spin 1 by node 0
-P-0000 P screening : treating k-point 70 and spin 1 by node 0
-P-0000 P screening : treating k-point 71 and spin 1 by node 0
-P-0000 P screening : treating k-point 72 and spin 1 by node 0
-P-0000 P screening : treating k-point 73 and spin 1 by node 0
-P-0000 P screening : treating k-point 74 and spin 1 by node 0
-P-0000 P screening : treating k-point 75 and spin 1 by node 0
-P-0000 P screening : treating k-point 76 and spin 1 by node 0
-P-0000 P screening : treating k-point 77 and spin 1 by node 0
-P-0000 P screening : treating k-point 78 and spin 1 by node 0
-P-0000 P screening : treating k-point 79 and spin 1 by node 0
-P-0000 P screening : treating k-point 80 and spin 1 by node 0
-P-0000 P screening : treating k-point 81 and spin 1 by node 0
-P-0000 P screening : treating k-point 82 and spin 1 by node 0
-P-0000 P screening : treating k-point 83 and spin 1 by node 0
-P-0000 P screening : treating k-point 84 and spin 1 by node 0
-P-0000 P screening : treating k-point 85 and spin 1 by node 0
-P-0000 P screening : treating k-point 86 and spin 1 by node 0
-P-0000 P screening : treating k-point 87 and spin 1 by node 0
-P-0000 P screening : treating k-point 88 and spin 1 by node 0
-P-0000 P screening : treating k-point 89 and spin 1 by node 0
-P-0000 P screening : treating k-point 90 and spin 1 by node 0
-P-0000 P screening : treating k-point 91 and spin 1 by node 0
-P-0000 P screening : treating k-point 92 and spin 1 by node 0
-P-0000 P screening : treating k-point 93 and spin 1 by node 0
-P-0000 P screening : treating k-point 94 and spin 1 by node 0
-P-0000 P screening : treating k-point 95 and spin 1 by node 0
-P-0000 P screening : treating k-point 96 and spin 1 by node 0
-P-0000 P screening : treating k-point 97 and spin 1 by node 0
-P-0000 P screening : treating k-point 98 and spin 1 by node 0
-P-0000 P screening : treating k-point 99 and spin 1 by node 0
-P-0000 P screening : treating k-point 100 and spin 1 by node 0
-P-0000 P screening : treating k-point 101 and spin 1 by node 0
-P-0000 P screening : treating k-point 102 and spin 1 by node 0
-P-0000 P screening : treating k-point 103 and spin 1 by node 0
-P-0000 P screening : treating k-point 104 and spin 1 by node 0
-P-0000 P screening : treating k-point 105 and spin 1 by node 0
-P-0000 P screening : treating k-point 106 and spin 1 by node 0
-P-0000 P screening : treating k-point 107 and spin 1 by node 0
-P-0000 P screening : treating k-point 108 and spin 1 by node 0
-P-0000 P screening : treating k-point 109 and spin 1 by node 0
-P-0000 P screening : treating k-point 110 and spin 1 by node 0
-P-0000 P screening : treating k-point 111 and spin 1 by node 0
-P-0000 P screening : treating k-point 112 and spin 1 by node 0
-P-0000 P screening : treating k-point 113 and spin 1 by node 0
-P-0000 P screening : treating k-point 114 and spin 1 by node 0
-P-0000 P screening : treating k-point 115 and spin 1 by node 0
-P-0000 P screening : treating k-point 116 and spin 1 by node 0
-P-0000 P screening : treating k-point 117 and spin 1 by node 0
-P-0000 P screening : treating k-point 118 and spin 1 by node 0
-P-0000 P screening : treating k-point 119 and spin 1 by node 0
-P-0000 P screening : treating k-point 120 and spin 1 by node 0
-P-0000 P screening : treating k-point 121 and spin 1 by node 0
-P-0000 P screening : treating k-point 122 and spin 1 by node 0
-P-0000 P screening : treating k-point 123 and spin 1 by node 0
-P-0000 P screening : treating k-point 124 and spin 1 by node 0
-P-0000 P screening : treating k-point 125 and spin 1 by node 0
-P-0000 P screening : treating k-point 126 and spin 1 by node 0
-P-0000 P screening : treating k-point 127 and spin 1 by node 0
-P-0000 P screening : treating k-point 128 and spin 1 by node 0
-P-0000 P screening : treating k-point 129 and spin 1 by node 0
-P-0000 P screening : treating k-point 130 and spin 1 by node 0
-P-0000 P screening : treating k-point 131 and spin 1 by node 0
-P-0000 P screening : treating k-point 132 and spin 1 by node 0
-P-0000 P screening : treating k-point 133 and spin 1 by node 0
-P-0000 P screening : treating k-point 134 and spin 1 by node 0
-P-0000 P screening : treating k-point 135 and spin 1 by node 0
-P-0000 P screening : treating k-point 136 and spin 1 by node 0
-P-0000 P screening : treating k-point 137 and spin 1 by node 0
-P-0000 P screening : treating k-point 138 and spin 1 by node 0
-P-0000 P screening : treating k-point 139 and spin 1 by node 0
-P-0000 P screening : treating k-point 140 and spin 1 by node 0
-P-0000 P screening : treating k-point 141 and spin 1 by node 0
-P-0000 P screening : treating k-point 142 and spin 1 by node 0
-P-0000 P screening : treating k-point 143 and spin 1 by node 0
-P-0000 P screening : treating k-point 144 and spin 1 by node 0
-P-0000 P screening : treating k-point 145 and spin 1 by node 0
-P-0000 P screening : treating k-point 146 and spin 1 by node 0
-P-0000 P screening : treating k-point 147 and spin 1 by node 0
-P-0000 P screening : treating k-point 148 and spin 1 by node 0
-P-0000 P screening : treating k-point 149 and spin 1 by node 0
-P-0000 P screening : treating k-point 150 and spin 1 by node 0
-P-0000 P screening : treating k-point 151 and spin 1 by node 0
-P-0000 P screening : treating k-point 152 and spin 1 by node 0
-P-0000 P screening : treating k-point 153 and spin 1 by node 0
-P-0000 P screening : treating k-point 154 and spin 1 by node 0
-P-0000 P screening : treating k-point 155 and spin 1 by node 0
-P-0000 P screening : treating k-point 156 and spin 1 by node 0
-P-0000 P screening : treating k-point 157 and spin 1 by node 0
-P-0000 P screening : treating k-point 158 and spin 1 by node 0
-P-0000 P screening : treating k-point 159 and spin 1 by node 0
-P-0000 P screening : treating k-point 160 and spin 1 by node 0
-P-0000 P screening : treating k-point 161 and spin 1 by node 0
-P-0000 P screening : treating k-point 162 and spin 1 by node 0
-P-0000 P screening : treating k-point 163 and spin 1 by node 0
-P-0000 P screening : treating k-point 164 and spin 1 by node 0
-P-0000 P screening : treating k-point 165 and spin 1 by node 0
-P-0000 P screening : treating k-point 166 and spin 1 by node 0
-P-0000 P screening : treating k-point 167 and spin 1 by node 0
-P-0000 P screening : treating k-point 168 and spin 1 by node 0
-P-0000 P screening : treating k-point 169 and spin 1 by node 0
-P-0000 P screening : treating k-point 170 and spin 1 by node 0
-P-0000 P screening : treating k-point 171 and spin 1 by node 0
-P-0000 P screening : treating k-point 172 and spin 1 by node 0
-P-0000 P screening : treating k-point 173 and spin 1 by node 0
-P-0000 P screening : treating k-point 174 and spin 1 by node 0
-P-0000 P screening : treating k-point 175 and spin 1 by node 0
-P-0000 P screening : treating k-point 176 and spin 1 by node 0
-P-0000 P screening : treating k-point 177 and spin 1 by node 0
-P-0000 P screening : treating k-point 178 and spin 1 by node 0
-P-0000 P screening : treating k-point 179 and spin 1 by node 0
-P-0000 P screening : treating k-point 180 and spin 1 by node 0
-P-0000 P screening : treating k-point 181 and spin 1 by node 0
-P-0000 P screening : treating k-point 182 and spin 1 by node 0
-P-0000 P screening : treating k-point 183 and spin 1 by node 0
-P-0000 P screening : treating k-point 184 and spin 1 by node 0
-P-0000 P screening : treating k-point 185 and spin 1 by node 0
-P-0000 P screening : treating k-point 186 and spin 1 by node 0
-P-0000 P screening : treating k-point 187 and spin 1 by node 0
-P-0000 P screening : treating k-point 188 and spin 1 by node 0
-P-0000 P screening : treating k-point 189 and spin 1 by node 0
-P-0000 P screening : treating k-point 190 and spin 1 by node 0
-P-0000 P screening : treating k-point 191 and spin 1 by node 0
-P-0000 P screening : treating k-point 192 and spin 1 by node 0
-P-0000 P screening : treating k-point 193 and spin 1 by node 0
-P-0000 P screening : treating k-point 194 and spin 1 by node 0
-P-0000 P screening : treating k-point 195 and spin 1 by node 0
-P-0000 P screening : treating k-point 196 and spin 1 by node 0
-P-0000 P screening : treating k-point 197 and spin 1 by node 0
-P-0000 P screening : treating k-point 198 and spin 1 by node 0
-P-0000 P screening : treating k-point 199 and spin 1 by node 0
-P-0000 P screening : treating k-point 200 and spin 1 by node 0
-P-0000 P screening : treating k-point 201 and spin 1 by node 0
-P-0000 P screening : treating k-point 202 and spin 1 by node 0
-P-0000 P screening : treating k-point 203 and spin 1 by node 0
-P-0000 P screening : treating k-point 204 and spin 1 by node 0
-P-0000 P screening : treating k-point 205 and spin 1 by node 0
-P-0000 P screening : treating k-point 206 and spin 1 by node 0
-P-0000 P screening : treating k-point 207 and spin 1 by node 0
-P-0000 P screening : treating k-point 208 and spin 1 by node 0
-P-0000 P screening : treating k-point 209 and spin 1 by node 0
-P-0000 P screening : treating k-point 210 and spin 1 by node 0
-P-0000 P screening : treating k-point 211 and spin 1 by node 0
-P-0000 P screening : treating k-point 212 and spin 1 by node 0
-P-0000 P screening : treating k-point 213 and spin 1 by node 0
-P-0000 P screening : treating k-point 214 and spin 1 by node 0
-P-0000 P screening : treating k-point 215 and spin 1 by node 0
-P-0000 P screening : treating k-point 216 and spin 1 by node 0
-P-0000 P screening : treating k-point 217 and spin 1 by node 0
-P-0000 P screening : treating k-point 218 and spin 1 by node 1
-P-0000 P screening : treating k-point 219 and spin 1 by node 1
-P-0000 P screening : treating k-point 220 and spin 1 by node 1
-P-0000 P screening : treating k-point 221 and spin 1 by node 1
-P-0000 P screening : treating k-point 222 and spin 1 by node 1
-P-0000 P screening : treating k-point 223 and spin 1 by node 1
-P-0000 P screening : treating k-point 224 and spin 1 by node 1
-P-0000 P screening : treating k-point 225 and spin 1 by node 1
-P-0000 P screening : treating k-point 226 and spin 1 by node 1
-P-0000 P screening : treating k-point 227 and spin 1 by node 1
-P-0000 P screening : treating k-point 228 and spin 1 by node 1
-P-0000 P screening : treating k-point 229 and spin 1 by node 1
-P-0000 P screening : treating k-point 230 and spin 1 by node 1
-P-0000 P screening : treating k-point 231 and spin 1 by node 1
-P-0000 P screening : treating k-point 232 and spin 1 by node 1
-P-0000 P screening : treating k-point 233 and spin 1 by node 1
-P-0000 P screening : treating k-point 234 and spin 1 by node 1
-P-0000 P screening : treating k-point 235 and spin 1 by node 1
-P-0000 P screening : treating k-point 236 and spin 1 by node 1
-P-0000 P screening : treating k-point 237 and spin 1 by node 1
-P-0000 P screening : treating k-point 238 and spin 1 by node 1
-P-0000 P screening : treating k-point 239 and spin 1 by node 1
-P-0000 P screening : treating k-point 240 and spin 1 by node 1
-P-0000 P screening : treating k-point 241 and spin 1 by node 1
-P-0000 P screening : treating k-point 242 and spin 1 by node 1
-P-0000 P screening : treating k-point 243 and spin 1 by node 1
-P-0000 P screening : treating k-point 244 and spin 1 by node 1
-P-0000 P screening : treating k-point 245 and spin 1 by node 1
-P-0000 P screening : treating k-point 246 and spin 1 by node 1
-P-0000 P screening : treating k-point 247 and spin 1 by node 1
-P-0000 P screening : treating k-point 248 and spin 1 by node 1
-P-0000 P screening : treating k-point 249 and spin 1 by node 1
-P-0000 P screening : treating k-point 250 and spin 1 by node 1
-P-0000 P screening : treating k-point 251 and spin 1 by node 1
-P-0000 P screening : treating k-point 252 and spin 1 by node 1
-P-0000 P screening : treating k-point 253 and spin 1 by node 1
-P-0000 P screening : treating k-point 254 and spin 1 by node 1
-P-0000 P screening : treating k-point 255 and spin 1 by node 1
-P-0000 P screening : treating k-point 256 and spin 1 by node 1
-P-0000 P screening : treating k-point 257 and spin 1 by node 1
-P-0000 P screening : treating k-point 258 and spin 1 by node 1
-P-0000 P screening : treating k-point 259 and spin 1 by node 1
-P-0000 P screening : treating k-point 260 and spin 1 by node 1
-P-0000 P screening : treating k-point 261 and spin 1 by node 1
-P-0000 P screening : treating k-point 262 and spin 1 by node 1
-P-0000 P screening : treating k-point 263 and spin 1 by node 1
-P-0000 P screening : treating k-point 264 and spin 1 by node 1
-P-0000 P screening : treating k-point 265 and spin 1 by node 1
-P-0000 P screening : treating k-point 266 and spin 1 by node 1
-P-0000 P screening : treating k-point 267 and spin 1 by node 1
-P-0000 P screening : treating k-point 268 and spin 1 by node 1
-P-0000 P screening : treating k-point 269 and spin 1 by node 1
-P-0000 P screening : treating k-point 270 and spin 1 by node 1
-P-0000 P screening : treating k-point 271 and spin 1 by node 1
-P-0000 P screening : treating k-point 272 and spin 1 by node 1
-P-0000 P screening : treating k-point 273 and spin 1 by node 1
-P-0000 P screening : treating k-point 274 and spin 1 by node 1
-P-0000 P screening : treating k-point 275 and spin 1 by node 1
-P-0000 P screening : treating k-point 276 and spin 1 by node 1
-P-0000 P screening : treating k-point 277 and spin 1 by node 1
-P-0000 P screening : treating k-point 278 and spin 1 by node 1
-P-0000 P screening : treating k-point 279 and spin 1 by node 1
-P-0000 P screening : treating k-point 280 and spin 1 by node 1
-P-0000 P screening : treating k-point 281 and spin 1 by node 1
-P-0000 P screening : treating k-point 282 and spin 1 by node 1
-P-0000 P screening : treating k-point 283 and spin 1 by node 1
-P-0000 P screening : treating k-point 284 and spin 1 by node 1
-P-0000 P screening : treating k-point 285 and spin 1 by node 1
-P-0000 P screening : treating k-point 286 and spin 1 by node 1
-P-0000 P screening : treating k-point 287 and spin 1 by node 1
-P-0000 P screening : treating k-point 288 and spin 1 by node 1
-P-0000 P screening : treating k-point 289 and spin 1 by node 1
-P-0000 P screening : treating k-point 290 and spin 1 by node 1
-P-0000 P screening : treating k-point 291 and spin 1 by node 1
-P-0000 P screening : treating k-point 292 and spin 1 by node 1
-P-0000 P screening : treating k-point 293 and spin 1 by node 1
-P-0000 P screening : treating k-point 294 and spin 1 by node 1
-P-0000 P screening : treating k-point 295 and spin 1 by node 1
-P-0000 P screening : treating k-point 296 and spin 1 by node 1
-P-0000 P screening : treating k-point 297 and spin 1 by node 1
-P-0000 P screening : treating k-point 298 and spin 1 by node 1
-P-0000 P screening : treating k-point 299 and spin 1 by node 1
-P-0000 P screening : treating k-point 300 and spin 1 by node 1
-P-0000 P screening : treating k-point 301 and spin 1 by node 1
-P-0000 P screening : treating k-point 302 and spin 1 by node 1
-P-0000 P screening : treating k-point 303 and spin 1 by node 1
-P-0000 P screening : treating k-point 304 and spin 1 by node 1
-P-0000 P screening : treating k-point 305 and spin 1 by node 1
-P-0000 P screening : treating k-point 306 and spin 1 by node 1
-P-0000 P screening : treating k-point 307 and spin 1 by node 1
-P-0000 P screening : treating k-point 308 and spin 1 by node 1
-P-0000 P screening : treating k-point 309 and spin 1 by node 1
-P-0000 P screening : treating k-point 310 and spin 1 by node 1
-P-0000 P screening : treating k-point 311 and spin 1 by node 1
-P-0000 P screening : treating k-point 312 and spin 1 by node 1
-P-0000 P screening : treating k-point 313 and spin 1 by node 1
-P-0000 P screening : treating k-point 314 and spin 1 by node 1
-P-0000 P screening : treating k-point 315 and spin 1 by node 1
-P-0000 P screening : treating k-point 316 and spin 1 by node 1
-P-0000 P screening : treating k-point 317 and spin 1 by node 1
-P-0000 P screening : treating k-point 318 and spin 1 by node 1
-P-0000 P screening : treating k-point 319 and spin 1 by node 1
-P-0000 P screening : treating k-point 320 and spin 1 by node 1
-P-0000 P screening : treating k-point 321 and spin 1 by node 1
-P-0000 P screening : treating k-point 322 and spin 1 by node 1
-P-0000 P screening : treating k-point 323 and spin 1 by node 1
-P-0000 P screening : treating k-point 324 and spin 1 by node 1
-P-0000 P screening : treating k-point 325 and spin 1 by node 1
-P-0000 P screening : treating k-point 326 and spin 1 by node 1
-P-0000 P screening : treating k-point 327 and spin 1 by node 1
-P-0000 P screening : treating k-point 328 and spin 1 by node 1
-P-0000 P screening : treating k-point 329 and spin 1 by node 1
-P-0000 P screening : treating k-point 330 and spin 1 by node 1
-P-0000 P screening : treating k-point 331 and spin 1 by node 1
-P-0000 P screening : treating k-point 332 and spin 1 by node 1
-P-0000 P screening : treating k-point 333 and spin 1 by node 1
-P-0000 P screening : treating k-point 334 and spin 1 by node 1
-P-0000 P screening : treating k-point 335 and spin 1 by node 1
-P-0000 P screening : treating k-point 336 and spin 1 by node 1
-P-0000 P screening : treating k-point 337 and spin 1 by node 1
-P-0000 P screening : treating k-point 338 and spin 1 by node 1
-P-0000 P screening : treating k-point 339 and spin 1 by node 1
-P-0000 P screening : treating k-point 340 and spin 1 by node 1
-P-0000 P screening : treating k-point 341 and spin 1 by node 1
-P-0000 P screening : treating k-point 342 and spin 1 by node 1
-P-0000 P screening : treating k-point 343 and spin 1 by node 1
-P-0000 P screening : treating k-point 344 and spin 1 by node 1
-P-0000 P screening : treating k-point 345 and spin 1 by node 1
-P-0000 P screening : treating k-point 346 and spin 1 by node 1
-P-0000 P screening : treating k-point 347 and spin 1 by node 1
-P-0000 P screening : treating k-point 348 and spin 1 by node 1
-P-0000 P screening : treating k-point 349 and spin 1 by node 1
-P-0000 P screening : treating k-point 350 and spin 1 by node 1
-P-0000 P screening : treating k-point 351 and spin 1 by node 1
-P-0000 P screening : treating k-point 352 and spin 1 by node 1
-P-0000 P screening : treating k-point 353 and spin 1 by node 1
-P-0000 P screening : treating k-point 354 and spin 1 by node 1
-P-0000 P screening : treating k-point 355 and spin 1 by node 1
-P-0000 P screening : treating k-point 356 and spin 1 by node 1
-P-0000 P screening : treating k-point 357 and spin 1 by node 1
-P-0000 P screening : treating k-point 358 and spin 1 by node 1
-P-0000 P screening : treating k-point 359 and spin 1 by node 1
-P-0000 P screening : treating k-point 360 and spin 1 by node 1
-P-0000 P screening : treating k-point 361 and spin 1 by node 1
-P-0000 P screening : treating k-point 362 and spin 1 by node 1
-P-0000 P screening : treating k-point 363 and spin 1 by node 1
-P-0000 P screening : treating k-point 364 and spin 1 by node 1
-P-0000 P screening : treating k-point 365 and spin 1 by node 1
-P-0000 P screening : treating k-point 366 and spin 1 by node 1
-P-0000 P screening : treating k-point 367 and spin 1 by node 1
-P-0000 P screening : treating k-point 368 and spin 1 by node 1
-P-0000 P screening : treating k-point 369 and spin 1 by node 1
-P-0000 P screening : treating k-point 370 and spin 1 by node 1
-P-0000 P screening : treating k-point 371 and spin 1 by node 1
-P-0000 P screening : treating k-point 372 and spin 1 by node 1
-P-0000 P screening : treating k-point 373 and spin 1 by node 1
-P-0000 P screening : treating k-point 374 and spin 1 by node 1
-P-0000 P screening : treating k-point 375 and spin 1 by node 1
-P-0000 P screening : treating k-point 376 and spin 1 by node 1
-P-0000 P screening : treating k-point 377 and spin 1 by node 1
-P-0000 P screening : treating k-point 378 and spin 1 by node 1
-P-0000 P screening : treating k-point 379 and spin 1 by node 1
-P-0000 P screening : treating k-point 380 and spin 1 by node 1
-P-0000 P screening : treating k-point 381 and spin 1 by node 1
-P-0000 P screening : treating k-point 382 and spin 1 by node 1
-P-0000 P screening : treating k-point 383 and spin 1 by node 1
-P-0000 P screening : treating k-point 384 and spin 1 by node 1
-P-0000 P screening : treating k-point 385 and spin 1 by node 1
-P-0000 P screening : treating k-point 386 and spin 1 by node 1
-P-0000 P screening : treating k-point 387 and spin 1 by node 1
-P-0000 P screening : treating k-point 388 and spin 1 by node 1
-P-0000 P screening : treating k-point 389 and spin 1 by node 1
-P-0000 P screening : treating k-point 390 and spin 1 by node 1
-P-0000 P screening : treating k-point 391 and spin 1 by node 1
-P-0000 P screening : treating k-point 392 and spin 1 by node 1
-P-0000 P screening : treating k-point 393 and spin 1 by node 1
-P-0000 P screening : treating k-point 394 and spin 1 by node 1
-P-0000 P screening : treating k-point 395 and spin 1 by node 1
-P-0000 P screening : treating k-point 396 and spin 1 by node 1
-P-0000 P screening : treating k-point 397 and spin 1 by node 1
-P-0000 P screening : treating k-point 398 and spin 1 by node 1
-P-0000 P screening : treating k-point 399 and spin 1 by node 1
-P-0000 P screening : treating k-point 400 and spin 1 by node 1
-P-0000 P screening : treating k-point 401 and spin 1 by node 1
-P-0000 P screening : treating k-point 402 and spin 1 by node 1
-P-0000 P screening : treating k-point 403 and spin 1 by node 1
-P-0000 P screening : treating k-point 404 and spin 1 by node 1
-P-0000 P screening : treating k-point 405 and spin 1 by node 1
-P-0000 P screening : treating k-point 406 and spin 1 by node 1
-P-0000 P screening : treating k-point 407 and spin 1 by node 1
-P-0000 P screening : treating k-point 408 and spin 1 by node 1
-P-0000 P screening : treating k-point 409 and spin 1 by node 1
-P-0000 P screening : treating k-point 410 and spin 1 by node 1
-P-0000 P screening : treating k-point 411 and spin 1 by node 1
-P-0000 P screening : treating k-point 412 and spin 1 by node 1
-P-0000 P screening : treating k-point 413 and spin 1 by node 1
-P-0000 P screening : treating k-point 414 and spin 1 by node 1
-P-0000 P screening : treating k-point 415 and spin 1 by node 1
-P-0000 P screening : treating k-point 416 and spin 1 by node 1
-P-0000 P screening : treating k-point 417 and spin 1 by node 1
-P-0000 P screening : treating k-point 418 and spin 1 by node 1
-P-0000 P screening : treating k-point 419 and spin 1 by node 1
-P-0000 P screening : treating k-point 420 and spin 1 by node 1
-P-0000 P screening : treating k-point 421 and spin 1 by node 1
-P-0000 P screening : treating k-point 422 and spin 1 by node 1
-P-0000 P screening : treating k-point 423 and spin 1 by node 1
-P-0000 P screening : treating k-point 424 and spin 1 by node 1
-P-0000 P screening : treating k-point 425 and spin 1 by node 1
-P-0000 P screening : treating k-point 426 and spin 1 by node 1
-P-0000 P screening : treating k-point 427 and spin 1 by node 1
-P-0000 P screening : treating k-point 428 and spin 1 by node 1
-P-0000 P screening : treating k-point 429 and spin 1 by node 1
-P-0000 P screening : treating k-point 430 and spin 1 by node 1
-P-0000 P screening : treating k-point 431 and spin 1 by node 1
-P-0000 P screening : treating k-point 432 and spin 1 by node 1
-P-0000 P screening : treating k-point 433 and spin 1 by node 1
-P-0000 P screening : treating k-point 434 and spin 1 by node 1
-P-0000 P screening : treating k-point 435 and spin 1 by node 2
-P-0000 P screening : treating k-point 436 and spin 1 by node 2
-P-0000 P screening : treating k-point 437 and spin 1 by node 2
-P-0000 P screening : treating k-point 438 and spin 1 by node 2
-P-0000 P screening : treating k-point 439 and spin 1 by node 2
-P-0000 P screening : treating k-point 440 and spin 1 by node 2
-P-0000 P screening : treating k-point 441 and spin 1 by node 2
-P-0000 P screening : treating k-point 442 and spin 1 by node 2
-P-0000 P screening : treating k-point 443 and spin 1 by node 2
-P-0000 P screening : treating k-point 444 and spin 1 by node 2
-P-0000 P screening : treating k-point 445 and spin 1 by node 2
-P-0000 P screening : treating k-point 446 and spin 1 by node 2
-P-0000 P screening : treating k-point 447 and spin 1 by node 2
-P-0000 P screening : treating k-point 448 and spin 1 by node 2
-P-0000 P screening : treating k-point 449 and spin 1 by node 2
-P-0000 P screening : treating k-point 450 and spin 1 by node 2
-P-0000 P screening : treating k-point 451 and spin 1 by node 2
-P-0000 P screening : treating k-point 452 and spin 1 by node 2
-P-0000 P screening : treating k-point 453 and spin 1 by node 2
-P-0000 P screening : treating k-point 454 and spin 1 by node 2
-P-0000 P screening : treating k-point 455 and spin 1 by node 2
-P-0000 P screening : treating k-point 456 and spin 1 by node 2
-P-0000 P screening : treating k-point 457 and spin 1 by node 2
-P-0000 P screening : treating k-point 458 and spin 1 by node 2
-P-0000 P screening : treating k-point 459 and spin 1 by node 2
-P-0000 P screening : treating k-point 460 and spin 1 by node 2
-P-0000 P screening : treating k-point 461 and spin 1 by node 2
-P-0000 P screening : treating k-point 462 and spin 1 by node 2
-P-0000 P screening : treating k-point 463 and spin 1 by node 2
-P-0000 P screening : treating k-point 464 and spin 1 by node 2
-P-0000 P screening : treating k-point 465 and spin 1 by node 2
-P-0000 P screening : treating k-point 466 and spin 1 by node 2
-P-0000 P screening : treating k-point 467 and spin 1 by node 2
-P-0000 P screening : treating k-point 468 and spin 1 by node 2
-P-0000 P screening : treating k-point 469 and spin 1 by node 2
-P-0000 P screening : treating k-point 470 and spin 1 by node 2
-P-0000 P screening : treating k-point 471 and spin 1 by node 2
-P-0000 P screening : treating k-point 472 and spin 1 by node 2
-P-0000 P screening : treating k-point 473 and spin 1 by node 2
-P-0000 P screening : treating k-point 474 and spin 1 by node 2
-P-0000 P screening : treating k-point 475 and spin 1 by node 2
-P-0000 P screening : treating k-point 476 and spin 1 by node 2
-P-0000 P screening : treating k-point 477 and spin 1 by node 2
-P-0000 P screening : treating k-point 478 and spin 1 by node 2
-P-0000 P screening : treating k-point 479 and spin 1 by node 2
-P-0000 P screening : treating k-point 480 and spin 1 by node 2
-P-0000 P screening : treating k-point 481 and spin 1 by node 2
-P-0000 P screening : treating k-point 482 and spin 1 by node 2
-P-0000 P screening : treating k-point 483 and spin 1 by node 2
-P-0000 P screening : treating k-point 484 and spin 1 by node 2
-P-0000 P screening : treating k-point 485 and spin 1 by node 2
-P-0000 P screening : treating k-point 486 and spin 1 by node 2
-P-0000 P screening : treating k-point 487 and spin 1 by node 2
-P-0000 P screening : treating k-point 488 and spin 1 by node 2
-P-0000 P screening : treating k-point 489 and spin 1 by node 2
-P-0000 P screening : treating k-point 490 and spin 1 by node 2
-P-0000 P screening : treating k-point 491 and spin 1 by node 2
-P-0000 P screening : treating k-point 492 and spin 1 by node 2
-P-0000 P screening : treating k-point 493 and spin 1 by node 2
-P-0000 P screening : treating k-point 494 and spin 1 by node 2
-P-0000 P screening : treating k-point 495 and spin 1 by node 2
-P-0000 P screening : treating k-point 496 and spin 1 by node 2
-P-0000 P screening : treating k-point 497 and spin 1 by node 2
-P-0000 P screening : treating k-point 498 and spin 1 by node 2
-P-0000 P screening : treating k-point 499 and spin 1 by node 2
-P-0000 P screening : treating k-point 500 and spin 1 by node 2
-P-0000 P screening : treating k-point 501 and spin 1 by node 2
-P-0000 P screening : treating k-point 502 and spin 1 by node 2
-P-0000 P screening : treating k-point 503 and spin 1 by node 2
-P-0000 P screening : treating k-point 504 and spin 1 by node 2
-P-0000 P screening : treating k-point 505 and spin 1 by node 2
-P-0000 P screening : treating k-point 506 and spin 1 by node 2
-P-0000 P screening : treating k-point 507 and spin 1 by node 2
-P-0000 P screening : treating k-point 508 and spin 1 by node 2
-P-0000 P screening : treating k-point 509 and spin 1 by node 2
-P-0000 P screening : treating k-point 510 and spin 1 by node 2
-P-0000 P screening : treating k-point 511 and spin 1 by node 2
-P-0000 P screening : treating k-point 512 and spin 1 by node 2
-P-0000 P screening : treating k-point 513 and spin 1 by node 2
-P-0000 P screening : treating k-point 514 and spin 1 by node 2
-P-0000 P screening : treating k-point 515 and spin 1 by node 2
-P-0000 P screening : treating k-point 516 and spin 1 by node 2
-P-0000 P screening : treating k-point 517 and spin 1 by node 2
-P-0000 P screening : treating k-point 518 and spin 1 by node 2
-P-0000 P screening : treating k-point 519 and spin 1 by node 2
-P-0000 P screening : treating k-point 520 and spin 1 by node 2
-P-0000 P screening : treating k-point 521 and spin 1 by node 2
-P-0000 P screening : treating k-point 522 and spin 1 by node 2
-P-0000 P screening : treating k-point 523 and spin 1 by node 2
-P-0000 P screening : treating k-point 524 and spin 1 by node 2
-P-0000 P screening : treating k-point 525 and spin 1 by node 2
-P-0000 P screening : treating k-point 526 and spin 1 by node 2
-P-0000 P screening : treating k-point 527 and spin 1 by node 2
-P-0000 P screening : treating k-point 528 and spin 1 by node 2
-P-0000 P screening : treating k-point 529 and spin 1 by node 2
-P-0000 P screening : treating k-point 530 and spin 1 by node 2
-P-0000 P screening : treating k-point 531 and spin 1 by node 2
-P-0000 P screening : treating k-point 532 and spin 1 by node 2
-P-0000 P screening : treating k-point 533 and spin 1 by node 2
-P-0000 P screening : treating k-point 534 and spin 1 by node 2
-P-0000 P screening : treating k-point 535 and spin 1 by node 2
-P-0000 P screening : treating k-point 536 and spin 1 by node 2
-P-0000 P screening : treating k-point 537 and spin 1 by node 2
-P-0000 P screening : treating k-point 538 and spin 1 by node 2
-P-0000 P screening : treating k-point 539 and spin 1 by node 2
-P-0000 P screening : treating k-point 540 and spin 1 by node 2
-P-0000 P screening : treating k-point 541 and spin 1 by node 2
-P-0000 P screening : treating k-point 542 and spin 1 by node 2
-P-0000 P screening : treating k-point 543 and spin 1 by node 2
-P-0000 P screening : treating k-point 544 and spin 1 by node 2
-P-0000 P screening : treating k-point 545 and spin 1 by node 2
-P-0000 P screening : treating k-point 546 and spin 1 by node 2
-P-0000 P screening : treating k-point 547 and spin 1 by node 2
-P-0000 P screening : treating k-point 548 and spin 1 by node 2
-P-0000 P screening : treating k-point 549 and spin 1 by node 2
-P-0000 P screening : treating k-point 550 and spin 1 by node 2
-P-0000 P screening : treating k-point 551 and spin 1 by node 2
-P-0000 P screening : treating k-point 552 and spin 1 by node 2
-P-0000 P screening : treating k-point 553 and spin 1 by node 2
-P-0000 P screening : treating k-point 554 and spin 1 by node 2
-P-0000 P screening : treating k-point 555 and spin 1 by node 2
-P-0000 P screening : treating k-point 556 and spin 1 by node 2
-P-0000 P screening : treating k-point 557 and spin 1 by node 2
-P-0000 P screening : treating k-point 558 and spin 1 by node 2
-P-0000 P screening : treating k-point 559 and spin 1 by node 2
-P-0000 P screening : treating k-point 560 and spin 1 by node 2
-P-0000 P screening : treating k-point 561 and spin 1 by node 2
-P-0000 P screening : treating k-point 562 and spin 1 by node 2
-P-0000 P screening : treating k-point 563 and spin 1 by node 2
-P-0000 P screening : treating k-point 564 and spin 1 by node 2
-P-0000 P screening : treating k-point 565 and spin 1 by node 2
-P-0000 P screening : treating k-point 566 and spin 1 by node 2
-P-0000 P screening : treating k-point 567 and spin 1 by node 2
-P-0000 P screening : treating k-point 568 and spin 1 by node 2
-P-0000 P screening : treating k-point 569 and spin 1 by node 2
-P-0000 P screening : treating k-point 570 and spin 1 by node 2
-P-0000 P screening : treating k-point 571 and spin 1 by node 2
-P-0000 P screening : treating k-point 572 and spin 1 by node 2
-P-0000 P screening : treating k-point 573 and spin 1 by node 2
-P-0000 P screening : treating k-point 574 and spin 1 by node 2
-P-0000 P screening : treating k-point 575 and spin 1 by node 2
-P-0000 P screening : treating k-point 576 and spin 1 by node 2
-P-0000 P screening : treating k-point 577 and spin 1 by node 2
-P-0000 P screening : treating k-point 578 and spin 1 by node 2
-P-0000 P screening : treating k-point 579 and spin 1 by node 2
-P-0000 P screening : treating k-point 580 and spin 1 by node 2
-P-0000 P screening : treating k-point 581 and spin 1 by node 2
-P-0000 P screening : treating k-point 582 and spin 1 by node 2
-P-0000 P screening : treating k-point 583 and spin 1 by node 2
-P-0000 P screening : treating k-point 584 and spin 1 by node 2
-P-0000 P screening : treating k-point 585 and spin 1 by node 2
-P-0000 P screening : treating k-point 586 and spin 1 by node 2
-P-0000 P screening : treating k-point 587 and spin 1 by node 2
-P-0000 P screening : treating k-point 588 and spin 1 by node 2
-P-0000 P screening : treating k-point 589 and spin 1 by node 2
-P-0000 P screening : treating k-point 590 and spin 1 by node 2
-P-0000 P screening : treating k-point 591 and spin 1 by node 2
-P-0000 P screening : treating k-point 592 and spin 1 by node 2
-P-0000 P screening : treating k-point 593 and spin 1 by node 2
-P-0000 P screening : treating k-point 594 and spin 1 by node 2
-P-0000 P screening : treating k-point 595 and spin 1 by node 2
-P-0000 P screening : treating k-point 596 and spin 1 by node 2
-P-0000 P screening : treating k-point 597 and spin 1 by node 2
-P-0000 P screening : treating k-point 598 and spin 1 by node 2
-P-0000 P screening : treating k-point 599 and spin 1 by node 2
-P-0000 P screening : treating k-point 600 and spin 1 by node 2
-P-0000 P screening : treating k-point 601 and spin 1 by node 2
-P-0000 P screening : treating k-point 602 and spin 1 by node 2
-P-0000 P screening : treating k-point 603 and spin 1 by node 2
-P-0000 P screening : treating k-point 604 and spin 1 by node 2
-P-0000 P screening : treating k-point 605 and spin 1 by node 2
-P-0000 P screening : treating k-point 606 and spin 1 by node 2
-P-0000 P screening : treating k-point 607 and spin 1 by node 2
-P-0000 P screening : treating k-point 608 and spin 1 by node 2
-P-0000 P screening : treating k-point 609 and spin 1 by node 2
-P-0000 P screening : treating k-point 610 and spin 1 by node 2
-P-0000 P screening : treating k-point 611 and spin 1 by node 2
-P-0000 P screening : treating k-point 612 and spin 1 by node 2
-P-0000 P screening : treating k-point 613 and spin 1 by node 2
-P-0000 P screening : treating k-point 614 and spin 1 by node 2
-P-0000 P screening : treating k-point 615 and spin 1 by node 2
-P-0000 P screening : treating k-point 616 and spin 1 by node 2
-P-0000 P screening : treating k-point 617 and spin 1 by node 2
-P-0000 P screening : treating k-point 618 and spin 1 by node 2
-P-0000 P screening : treating k-point 619 and spin 1 by node 2
-P-0000 P screening : treating k-point 620 and spin 1 by node 2
-P-0000 P screening : treating k-point 621 and spin 1 by node 2
-P-0000 P screening : treating k-point 622 and spin 1 by node 2
-P-0000 P screening : treating k-point 623 and spin 1 by node 2
-P-0000 P screening : treating k-point 624 and spin 1 by node 2
-P-0000 P screening : treating k-point 625 and spin 1 by node 2
-P-0000 P screening : treating k-point 626 and spin 1 by node 2
-P-0000 P screening : treating k-point 627 and spin 1 by node 2
-P-0000 P screening : treating k-point 628 and spin 1 by node 2
-P-0000 P screening : treating k-point 629 and spin 1 by node 2
-P-0000 P screening : treating k-point 630 and spin 1 by node 2
-P-0000 P screening : treating k-point 631 and spin 1 by node 2
-P-0000 P screening : treating k-point 632 and spin 1 by node 2
-P-0000 P screening : treating k-point 633 and spin 1 by node 2
-P-0000 P screening : treating k-point 634 and spin 1 by node 2
-P-0000 P screening : treating k-point 635 and spin 1 by node 2
-P-0000 P screening : treating k-point 636 and spin 1 by node 2
-P-0000 P screening : treating k-point 637 and spin 1 by node 2
-P-0000 P screening : treating k-point 638 and spin 1 by node 2
-P-0000 P screening : treating k-point 639 and spin 1 by node 2
-P-0000 P screening : treating k-point 640 and spin 1 by node 2
-P-0000 P screening : treating k-point 641 and spin 1 by node 2
-P-0000 P screening : treating k-point 642 and spin 1 by node 2
-P-0000 P screening : treating k-point 643 and spin 1 by node 2
-P-0000 P screening : treating k-point 644 and spin 1 by node 2
-P-0000 P screening : treating k-point 645 and spin 1 by node 2
-P-0000 P screening : treating k-point 646 and spin 1 by node 2
-P-0000 P screening : treating k-point 647 and spin 1 by node 2
-P-0000 P screening : treating k-point 648 and spin 1 by node 2
-P-0000 P screening : treating k-point 649 and spin 1 by node 2
-P-0000 P screening : treating k-point 650 and spin 1 by node 2
-P-0000 P screening : treating k-point 651 and spin 1 by node 2
-P-0000 P screening : treating k-point 652 and spin 1 by node 3
-P-0000 P screening : treating k-point 653 and spin 1 by node 3
-P-0000 P screening : treating k-point 654 and spin 1 by node 3
-P-0000 P screening : treating k-point 655 and spin 1 by node 3
-P-0000 P screening : treating k-point 656 and spin 1 by node 3
-P-0000 P screening : treating k-point 657 and spin 1 by node 3
-P-0000 P screening : treating k-point 658 and spin 1 by node 3
-P-0000 P screening : treating k-point 659 and spin 1 by node 3
-P-0000 P screening : treating k-point 660 and spin 1 by node 3
-P-0000 P screening : treating k-point 661 and spin 1 by node 3
-P-0000 P screening : treating k-point 662 and spin 1 by node 3
-P-0000 P screening : treating k-point 663 and spin 1 by node 3
-P-0000 P screening : treating k-point 664 and spin 1 by node 3
-P-0000 P screening : treating k-point 665 and spin 1 by node 3
-P-0000 P screening : treating k-point 666 and spin 1 by node 3
-P-0000 P screening : treating k-point 667 and spin 1 by node 3
-P-0000 P screening : treating k-point 668 and spin 1 by node 3
-P-0000 P screening : treating k-point 669 and spin 1 by node 3
-P-0000 P screening : treating k-point 670 and spin 1 by node 3
-P-0000 P screening : treating k-point 671 and spin 1 by node 3
-P-0000 P screening : treating k-point 672 and spin 1 by node 3
-P-0000 P screening : treating k-point 673 and spin 1 by node 3
-P-0000 P screening : treating k-point 674 and spin 1 by node 3
-P-0000 P screening : treating k-point 675 and spin 1 by node 3
-P-0000 P screening : treating k-point 676 and spin 1 by node 3
-P-0000 P screening : treating k-point 677 and spin 1 by node 3
-P-0000 P screening : treating k-point 678 and spin 1 by node 3
-P-0000 P screening : treating k-point 679 and spin 1 by node 3
-P-0000 P screening : treating k-point 680 and spin 1 by node 3
-P-0000 P screening : treating k-point 681 and spin 1 by node 3
-P-0000 P screening : treating k-point 682 and spin 1 by node 3
-P-0000 P screening : treating k-point 683 and spin 1 by node 3
-P-0000 P screening : treating k-point 684 and spin 1 by node 3
-P-0000 P screening : treating k-point 685 and spin 1 by node 3
-P-0000 P screening : treating k-point 686 and spin 1 by node 3
-P-0000 P screening : treating k-point 687 and spin 1 by node 3
-P-0000 P screening : treating k-point 688 and spin 1 by node 3
-P-0000 P screening : treating k-point 689 and spin 1 by node 3
-P-0000 P screening : treating k-point 690 and spin 1 by node 3
-P-0000 P screening : treating k-point 691 and spin 1 by node 3
-P-0000 P screening : treating k-point 692 and spin 1 by node 3
-P-0000 P screening : treating k-point 693 and spin 1 by node 3
-P-0000 P screening : treating k-point 694 and spin 1 by node 3
-P-0000 P screening : treating k-point 695 and spin 1 by node 3
-P-0000 P screening : treating k-point 696 and spin 1 by node 3
-P-0000 P screening : treating k-point 697 and spin 1 by node 3
-P-0000 P screening : treating k-point 698 and spin 1 by node 3
-P-0000 P screening : treating k-point 699 and spin 1 by node 3
-P-0000 P screening : treating k-point 700 and spin 1 by node 3
-P-0000 P screening : treating k-point 701 and spin 1 by node 3
-P-0000 P screening : treating k-point 702 and spin 1 by node 3
-P-0000 P screening : treating k-point 703 and spin 1 by node 3
-P-0000 P screening : treating k-point 704 and spin 1 by node 3
-P-0000 P screening : treating k-point 705 and spin 1 by node 3
-P-0000 P screening : treating k-point 706 and spin 1 by node 3
-P-0000 P screening : treating k-point 707 and spin 1 by node 3
-P-0000 P screening : treating k-point 708 and spin 1 by node 3
-P-0000 P screening : treating k-point 709 and spin 1 by node 3
-P-0000 P screening : treating k-point 710 and spin 1 by node 3
-P-0000 P screening : treating k-point 711 and spin 1 by node 3
-P-0000 P screening : treating k-point 712 and spin 1 by node 3
-P-0000 P screening : treating k-point 713 and spin 1 by node 3
-P-0000 P screening : treating k-point 714 and spin 1 by node 3
-P-0000 P screening : treating k-point 715 and spin 1 by node 3
-P-0000 P screening : treating k-point 716 and spin 1 by node 3
-P-0000 P screening : treating k-point 717 and spin 1 by node 3
-P-0000 P screening : treating k-point 718 and spin 1 by node 3
-P-0000 P screening : treating k-point 719 and spin 1 by node 3
-P-0000 P screening : treating k-point 720 and spin 1 by node 3
-P-0000 P screening : treating k-point 721 and spin 1 by node 3
-P-0000 P screening : treating k-point 722 and spin 1 by node 3
-P-0000 P screening : treating k-point 723 and spin 1 by node 3
-P-0000 P screening : treating k-point 724 and spin 1 by node 3
-P-0000 P screening : treating k-point 725 and spin 1 by node 3
-P-0000 P screening : treating k-point 726 and spin 1 by node 3
-P-0000 P screening : treating k-point 727 and spin 1 by node 3
-P-0000 P screening : treating k-point 728 and spin 1 by node 3
-P-0000 P screening : treating k-point 729 and spin 1 by node 3
-P-0000 P screening : treating k-point 730 and spin 1 by node 3
-P-0000 P screening : treating k-point 731 and spin 1 by node 3
-P-0000 P screening : treating k-point 732 and spin 1 by node 3
-P-0000 P screening : treating k-point 733 and spin 1 by node 3
-P-0000 P screening : treating k-point 734 and spin 1 by node 3
-P-0000 P screening : treating k-point 735 and spin 1 by node 3
-P-0000 P screening : treating k-point 736 and spin 1 by node 3
-P-0000 P screening : treating k-point 737 and spin 1 by node 3
-P-0000 P screening : treating k-point 738 and spin 1 by node 3
-P-0000 P screening : treating k-point 739 and spin 1 by node 3
-P-0000 P screening : treating k-point 740 and spin 1 by node 3
-P-0000 P screening : treating k-point 741 and spin 1 by node 3
-P-0000 P screening : treating k-point 742 and spin 1 by node 3
-P-0000 P screening : treating k-point 743 and spin 1 by node 3
-P-0000 P screening : treating k-point 744 and spin 1 by node 3
-P-0000 P screening : treating k-point 745 and spin 1 by node 3
-P-0000 P screening : treating k-point 746 and spin 1 by node 3
-P-0000 P screening : treating k-point 747 and spin 1 by node 3
-P-0000 P screening : treating k-point 748 and spin 1 by node 3
-P-0000 P screening : treating k-point 749 and spin 1 by node 3
-P-0000 P screening : treating k-point 750 and spin 1 by node 3
-P-0000 P screening : treating k-point 751 and spin 1 by node 3
-P-0000 P screening : treating k-point 752 and spin 1 by node 3
-P-0000 P screening : treating k-point 753 and spin 1 by node 3
-P-0000 P screening : treating k-point 754 and spin 1 by node 3
-P-0000 P screening : treating k-point 755 and spin 1 by node 3
-P-0000 P screening : treating k-point 756 and spin 1 by node 3
-P-0000 P screening : treating k-point 757 and spin 1 by node 3
-P-0000 P screening : treating k-point 758 and spin 1 by node 3
-P-0000 P screening : treating k-point 759 and spin 1 by node 3
-P-0000 P screening : treating k-point 760 and spin 1 by node 3
-P-0000 P screening : treating k-point 761 and spin 1 by node 3
-P-0000 P screening : treating k-point 762 and spin 1 by node 3
-P-0000 P screening : treating k-point 763 and spin 1 by node 3
-P-0000 P screening : treating k-point 764 and spin 1 by node 3
-P-0000 P screening : treating k-point 765 and spin 1 by node 3
-P-0000 P screening : treating k-point 766 and spin 1 by node 3
-P-0000 P screening : treating k-point 767 and spin 1 by node 3
-P-0000 P screening : treating k-point 768 and spin 1 by node 3
-P-0000 P screening : treating k-point 769 and spin 1 by node 3
-P-0000 P screening : treating k-point 770 and spin 1 by node 3
-P-0000 P screening : treating k-point 771 and spin 1 by node 3
-P-0000 P screening : treating k-point 772 and spin 1 by node 3
-P-0000 P screening : treating k-point 773 and spin 1 by node 3
-P-0000 P screening : treating k-point 774 and spin 1 by node 3
-P-0000 P screening : treating k-point 775 and spin 1 by node 3
-P-0000 P screening : treating k-point 776 and spin 1 by node 3
-P-0000 P screening : treating k-point 777 and spin 1 by node 3
-P-0000 P screening : treating k-point 778 and spin 1 by node 3
-P-0000 P screening : treating k-point 779 and spin 1 by node 3
-P-0000 P screening : treating k-point 780 and spin 1 by node 3
-P-0000 P screening : treating k-point 781 and spin 1 by node 3
-P-0000 P screening : treating k-point 782 and spin 1 by node 3
-P-0000 P screening : treating k-point 783 and spin 1 by node 3
-P-0000 P screening : treating k-point 784 and spin 1 by node 3
-P-0000 P screening : treating k-point 785 and spin 1 by node 3
-P-0000 P screening : treating k-point 786 and spin 1 by node 3
-P-0000 P screening : treating k-point 787 and spin 1 by node 3
-P-0000 P screening : treating k-point 788 and spin 1 by node 3
-P-0000 P screening : treating k-point 789 and spin 1 by node 3
-P-0000 P screening : treating k-point 790 and spin 1 by node 3
-P-0000 P screening : treating k-point 791 and spin 1 by node 3
-P-0000 P screening : treating k-point 792 and spin 1 by node 3
-P-0000 P screening : treating k-point 793 and spin 1 by node 3
-P-0000 P screening : treating k-point 794 and spin 1 by node 3
-P-0000 P screening : treating k-point 795 and spin 1 by node 3
-P-0000 P screening : treating k-point 796 and spin 1 by node 3
-P-0000 P screening : treating k-point 797 and spin 1 by node 3
-P-0000 P screening : treating k-point 798 and spin 1 by node 3
-P-0000 P screening : treating k-point 799 and spin 1 by node 3
-P-0000 P screening : treating k-point 800 and spin 1 by node 3
-P-0000 P screening : treating k-point 801 and spin 1 by node 3
-P-0000 P screening : treating k-point 802 and spin 1 by node 3
-P-0000 P screening : treating k-point 803 and spin 1 by node 3
-P-0000 P screening : treating k-point 804 and spin 1 by node 3
-P-0000 P screening : treating k-point 805 and spin 1 by node 3
-P-0000 P screening : treating k-point 806 and spin 1 by node 3
-P-0000 P screening : treating k-point 807 and spin 1 by node 3
-P-0000 P screening : treating k-point 808 and spin 1 by node 3
-P-0000 P screening : treating k-point 809 and spin 1 by node 3
-P-0000 P screening : treating k-point 810 and spin 1 by node 3
-P-0000 P screening : treating k-point 811 and spin 1 by node 3
-P-0000 P screening : treating k-point 812 and spin 1 by node 3
-P-0000 P screening : treating k-point 813 and spin 1 by node 3
-P-0000 P screening : treating k-point 814 and spin 1 by node 3
-P-0000 P screening : treating k-point 815 and spin 1 by node 3
-P-0000 P screening : treating k-point 816 and spin 1 by node 3
-P-0000 P screening : treating k-point 817 and spin 1 by node 3
-P-0000 P screening : treating k-point 818 and spin 1 by node 3
-P-0000 P screening : treating k-point 819 and spin 1 by node 3
-P-0000 P screening : treating k-point 820 and spin 1 by node 3
-P-0000 P screening : treating k-point 821 and spin 1 by node 3
-P-0000 P screening : treating k-point 822 and spin 1 by node 3
-P-0000 P screening : treating k-point 823 and spin 1 by node 3
-P-0000 P screening : treating k-point 824 and spin 1 by node 3
-P-0000 P screening : treating k-point 825 and spin 1 by node 3
-P-0000 P screening : treating k-point 826 and spin 1 by node 3
-P-0000 P screening : treating k-point 827 and spin 1 by node 3
-P-0000 P screening : treating k-point 828 and spin 1 by node 3
-P-0000 P screening : treating k-point 829 and spin 1 by node 3
-P-0000 P screening : treating k-point 830 and spin 1 by node 3
-P-0000 P screening : treating k-point 831 and spin 1 by node 3
-P-0000 P screening : treating k-point 832 and spin 1 by node 3
-P-0000 P screening : treating k-point 833 and spin 1 by node 3
-P-0000 P screening : treating k-point 834 and spin 1 by node 3
-P-0000 P screening : treating k-point 835 and spin 1 by node 3
-P-0000 P screening : treating k-point 836 and spin 1 by node 3
-P-0000 P screening : treating k-point 837 and spin 1 by node 3
-P-0000 P screening : treating k-point 838 and spin 1 by node 3
-P-0000 P screening : treating k-point 839 and spin 1 by node 3
-P-0000 P screening : treating k-point 840 and spin 1 by node 3
-P-0000 P screening : treating k-point 841 and spin 1 by node 3
-P-0000 P screening : treating k-point 842 and spin 1 by node 3
-P-0000 P screening : treating k-point 843 and spin 1 by node 3
-P-0000 P screening : treating k-point 844 and spin 1 by node 3
-P-0000 P screening : treating k-point 845 and spin 1 by node 3
-P-0000 P screening : treating k-point 846 and spin 1 by node 3
-P-0000 P screening : treating k-point 847 and spin 1 by node 3
-P-0000 P screening : treating k-point 848 and spin 1 by node 3
-P-0000 P screening : treating k-point 849 and spin 1 by node 3
-P-0000 P screening : treating k-point 850 and spin 1 by node 3
-P-0000 P screening : treating k-point 851 and spin 1 by node 3
-P-0000 P screening : treating k-point 852 and spin 1 by node 3
-P-0000 P screening : treating k-point 853 and spin 1 by node 3
-P-0000 P screening : treating k-point 854 and spin 1 by node 3
-P-0000 P screening : treating k-point 855 and spin 1 by node 3
-P-0000 P screening : treating k-point 856 and spin 1 by node 3
-P-0000 P screening : treating k-point 857 and spin 1 by node 3
-P-0000 P screening : treating k-point 858 and spin 1 by node 3
-P-0000 P screening : treating k-point 859 and spin 1 by node 3
-P-0000 P screening : treating k-point 860 and spin 1 by node 3
-P-0000 P screening : treating k-point 861 and spin 1 by node 3
-P-0000 P screening : treating k-point 862 and spin 1 by node 3
-P-0000 P screening : treating k-point 863 and spin 1 by node 3
-P-0000 P screening : treating k-point 864 and spin 1 by node 3
-P-0000 P screening : treating k-point 865 and spin 1 by node 3
cchi0q0 : enter
dimension rhotwx= 3
symmetrization flag = 0
use time reversal = F
spectral method = 0
cchi0q0 : wavefunctions are not in memory, reading from file
calculating chi0(q=(0,0,0),omega,G,G")
calculation status ( 865 to be completed) :
cchi0q0 : ik = 1 / 865 is = 1 done by processor 0
cchi0q0 : ik = 2 / 865 is = 1 done by processor 0
cchi0q0 : ik = 3 / 865 is = 1 done by processor 0
cchi0q0 : ik = 4 / 865 is = 1 done by processor 0
cchi0q0 : ik = 5 / 865 is = 1 done by processor 0
cchi0q0 : ik = 6 / 865 is = 1 done by processor 0
cchi0q0 : ik = 7 / 865 is = 1 done by processor 0
cchi0q0 : ik = 8 / 865 is = 1 done by processor 0
cchi0q0 : ik = 9 / 865 is = 1 done by processor 0
cchi0q0 : ik = 10 / 865 is = 1 done by processor 0
cchi0q0 : ik = 11 / 865 is = 1 done by processor 0
cchi0q0 : ik = 12 / 865 is = 1 done by processor 0
cchi0q0 : ik = 13 / 865 is = 1 done by processor 0
cchi0q0 : ik = 14 / 865 is = 1 done by processor 0
cchi0q0 : ik = 15 / 865 is = 1 done by processor 0
cchi0q0 : ik = 16 / 865 is = 1 done by processor 0
cchi0q0 : ik = 17 / 865 is = 1 done by processor 0
cchi0q0 : ik = 18 / 865 is = 1 done by processor 0
cchi0q0 : ik = 19 / 865 is = 1 done by processor 0
cchi0q0 : ik = 20 / 865 is = 1 done by processor 0
cchi0q0 : ik = 21 / 865 is = 1 done by processor 0
cchi0q0 : ik = 22 / 865 is = 1 done by processor 0
cchi0q0 : ik = 23 / 865 is = 1 done by processor 0
cchi0q0 : ik = 24 / 865 is = 1 done by processor 0
cchi0q0 : ik = 25 / 865 is = 1 done by processor 0
cchi0q0 : ik = 26 / 865 is = 1 done by processor 0
cchi0q0 : ik = 27 / 865 is = 1 done by processor 0
cchi0q0 : ik = 28 / 865 is = 1 done by processor 0
cchi0q0 : ik = 29 / 865 is = 1 done by processor 0
cchi0q0 : ik = 30 / 865 is = 1 done by processor 0
cchi0q0 : ik = 31 / 865 is = 1 done by processor 0
cchi0q0 : ik = 32 / 865 is = 1 done by processor 0
cchi0q0 : ik = 33 / 865 is = 1 done by processor 0
cchi0q0 : ik = 34 / 865 is = 1 done by processor 0
cchi0q0 : ik = 35 / 865 is = 1 done by processor 0
cchi0q0 : ik = 36 / 865 is = 1 done by processor 0
cchi0q0 : ik = 37 / 865 is = 1 done by processor 0
cchi0q0 : ik = 38 / 865 is = 1 done by processor 0
cchi0q0 : ik = 39 / 865 is = 1 done by processor 0
cchi0q0 : ik = 40 / 865 is = 1 done by processor 0
cchi0q0 : ik = 41 / 865 is = 1 done by processor 0
cchi0q0 : ik = 42 / 865 is = 1 done by processor 0
cchi0q0 : ik = 43 / 865 is = 1 done by processor 0
cchi0q0 : ik = 44 / 865 is = 1 done by processor 0
cchi0q0 : ik = 45 / 865 is = 1 done by processor 0
cchi0q0 : ik = 46 / 865 is = 1 done by processor 0
cchi0q0 : ik = 47 / 865 is = 1 done by processor 0
cchi0q0 : ik = 48 / 865 is = 1 done by processor 0
cchi0q0 : ik = 49 / 865 is = 1 done by processor 0
cchi0q0 : ik = 50 / 865 is = 1 done by processor 0
cchi0q0 : ik = 51 / 865 is = 1 done by processor 0
cchi0q0 : ik = 52 / 865 is = 1 done by processor 0
cchi0q0 : ik = 53 / 865 is = 1 done by processor 0
cchi0q0 : ik = 54 / 865 is = 1 done by processor 0
cchi0q0 : ik = 55 / 865 is = 1 done by processor 0
cchi0q0 : ik = 56 / 865 is = 1 done by processor 0
cchi0q0 : ik = 57 / 865 is = 1 done by processor 0
cchi0q0 : ik = 58 / 865 is = 1 done by processor 0
cchi0q0 : ik = 59 / 865 is = 1 done by processor 0
cchi0q0 : ik = 60 / 865 is = 1 done by processor 0
cchi0q0 : ik = 61 / 865 is = 1 done by processor 0
cchi0q0 : ik = 62 / 865 is = 1 done by processor 0
cchi0q0 : ik = 63 / 865 is = 1 done by processor 0
cchi0q0 : ik = 64 / 865 is = 1 done by processor 0
cchi0q0 : ik = 65 / 865 is = 1 done by processor 0
cchi0q0 : ik = 66 / 865 is = 1 done by processor 0
cchi0q0 : ik = 67 / 865 is = 1 done by processor 0
cchi0q0 : ik = 68 / 865 is = 1 done by processor 0
cchi0q0 : ik = 69 / 865 is = 1 done by processor 0
cchi0q0 : ik = 70 / 865 is = 1 done by processor 0
cchi0q0 : ik = 71 / 865 is = 1 done by processor 0
cchi0q0 : ik = 72 / 865 is = 1 done by processor 0
cchi0q0 : ik = 73 / 865 is = 1 done by processor 0
cchi0q0 : ik = 74 / 865 is = 1 done by processor 0
cchi0q0 : ik = 75 / 865 is = 1 done by processor 0
cchi0q0 : ik = 76 / 865 is = 1 done by processor 0
cchi0q0 : ik = 77 / 865 is = 1 done by processor 0
cchi0q0 : ik = 78 / 865 is = 1 done by processor 0
cchi0q0 : ik = 79 / 865 is = 1 done by processor 0
cchi0q0 : ik = 80 / 865 is = 1 done by processor 0
cchi0q0 : ik = 81 / 865 is = 1 done by processor 0
cchi0q0 : ik = 82 / 865 is = 1 done by processor 0
cchi0q0 : ik = 83 / 865 is = 1 done by processor 0
cchi0q0 : ik = 84 / 865 is = 1 done by processor 0
cchi0q0 : ik = 85 / 865 is = 1 done by processor 0
cchi0q0 : ik = 86 / 865 is = 1 done by processor 0
cchi0q0 : ik = 87 / 865 is = 1 done by processor 0
cchi0q0 : ik = 88 / 865 is = 1 done by processor 0
cchi0q0 : ik = 89 / 865 is = 1 done by processor 0
cchi0q0 : ik = 90 / 865 is = 1 done by processor 0
cchi0q0 : ik = 91 / 865 is = 1 done by processor 0
cchi0q0 : ik = 92 / 865 is = 1 done by processor 0
cchi0q0 : ik = 93 / 865 is = 1 done by processor 0
cchi0q0 : ik = 94 / 865 is = 1 done by processor 0
cchi0q0 : ik = 95 / 865 is = 1 done by processor 0
cchi0q0 : ik = 96 / 865 is = 1 done by processor 0
cchi0q0 : ik = 97 / 865 is = 1 done by processor 0
cchi0q0 : ik = 98 / 865 is = 1 done by processor 0
cchi0q0 : ik = 99 / 865 is = 1 done by processor 0
cchi0q0 : ik = 100 / 865 is = 1 done by processor 0
cchi0q0 : ik = 101 / 865 is = 1 done by processor 0
cchi0q0 : ik = 102 / 865 is = 1 done by processor 0
cchi0q0 : ik = 103 / 865 is = 1 done by processor 0
cchi0q0 : ik = 104 / 865 is = 1 done by processor 0
cchi0q0 : ik = 105 / 865 is = 1 done by processor 0
cchi0q0 : ik = 106 / 865 is = 1 done by processor 0
cchi0q0 : ik = 107 / 865 is = 1 done by processor 0
cchi0q0 : ik = 108 / 865 is = 1 done by processor 0
cchi0q0 : ik = 109 / 865 is = 1 done by processor 0
cchi0q0 : ik = 110 / 865 is = 1 done by processor 0
cchi0q0 : ik = 111 / 865 is = 1 done by processor 0
cchi0q0 : ik = 112 / 865 is = 1 done by processor 0
cchi0q0 : ik = 113 / 865 is = 1 done by processor 0
cchi0q0 : ik = 114 / 865 is = 1 done by processor 0
cchi0q0 : ik = 115 / 865 is = 1 done by processor 0
cchi0q0 : ik = 116 / 865 is = 1 done by processor 0
cchi0q0 : ik = 117 / 865 is = 1 done by processor 0
cchi0q0 : ik = 118 / 865 is = 1 done by processor 0
cchi0q0 : ik = 119 / 865 is = 1 done by processor 0
cchi0q0 : ik = 120 / 865 is = 1 done by processor 0
cchi0q0 : ik = 121 / 865 is = 1 done by processor 0
cchi0q0 : ik = 122 / 865 is = 1 done by processor 0
cchi0q0 : ik = 123 / 865 is = 1 done by processor 0
cchi0q0 : ik = 124 / 865 is = 1 done by processor 0
cchi0q0 : ik = 125 / 865 is = 1 done by processor 0
cchi0q0 : ik = 126 / 865 is = 1 done by processor 0
cchi0q0 : ik = 127 / 865 is = 1 done by processor 0
cchi0q0 : ik = 128 / 865 is = 1 done by processor 0
cchi0q0 : ik = 129 / 865 is = 1 done by processor 0
cchi0q0 : ik = 130 / 865 is = 1 done by processor 0
cchi0q0 : ik = 131 / 865 is = 1 done by processor 0
cchi0q0 : ik = 132 / 865 is = 1 done by processor 0
cchi0q0 : ik = 133 / 865 is = 1 done by processor 0
cchi0q0 : ik = 134 / 865 is = 1 done by processor 0
cchi0q0 : ik = 135 / 865 is = 1 done by processor 0
cchi0q0 : ik = 136 / 865 is = 1 done by processor 0
cchi0q0 : ik = 137 / 865 is = 1 done by processor 0
cchi0q0 : ik = 138 / 865 is = 1 done by processor 0
cchi0q0 : ik = 139 / 865 is = 1 done by processor 0
cchi0q0 : ik = 140 / 865 is = 1 done by processor 0
cchi0q0 : ik = 141 / 865 is = 1 done by processor 0
cchi0q0 : ik = 142 / 865 is = 1 done by processor 0
cchi0q0 : ik = 143 / 865 is = 1 done by processor 0
cchi0q0 : ik = 144 / 865 is = 1 done by processor 0
cchi0q0 : ik = 145 / 865 is = 1 done by processor 0
cchi0q0 : ik = 146 / 865 is = 1 done by processor 0
cchi0q0 : ik = 147 / 865 is = 1 done by processor 0
cchi0q0 : ik = 148 / 865 is = 1 done by processor 0
cchi0q0 : ik = 149 / 865 is = 1 done by processor 0
cchi0q0 : ik = 150 / 865 is = 1 done by processor 0
cchi0q0 : ik = 151 / 865 is = 1 done by processor 0
cchi0q0 : ik = 152 / 865 is = 1 done by processor 0
cchi0q0 : ik = 153 / 865 is = 1 done by processor 0
cchi0q0 : ik = 154 / 865 is = 1 done by processor 0
cchi0q0 : ik = 155 / 865 is = 1 done by processor 0
cchi0q0 : ik = 156 / 865 is = 1 done by processor 0
cchi0q0 : ik = 157 / 865 is = 1 done by processor 0
cchi0q0 : ik = 158 / 865 is = 1 done by processor 0
cchi0q0 : ik = 159 / 865 is = 1 done by processor 0
cchi0q0 : ik = 160 / 865 is = 1 done by processor 0
cchi0q0 : ik = 161 / 865 is = 1 done by processor 0
cchi0q0 : ik = 162 / 865 is = 1 done by processor 0
cchi0q0 : ik = 163 / 865 is = 1 done by processor 0
cchi0q0 : ik = 164 / 865 is = 1 done by processor 0
cchi0q0 : ik = 165 / 865 is = 1 done by processor 0
cchi0q0 : ik = 166 / 865 is = 1 done by processor 0
cchi0q0 : ik = 167 / 865 is = 1 done by processor 0
cchi0q0 : ik = 168 / 865 is = 1 done by processor 0
cchi0q0 : ik = 169 / 865 is = 1 done by processor 0
cchi0q0 : ik = 170 / 865 is = 1 done by processor 0
cchi0q0 : ik = 171 / 865 is = 1 done by processor 0
cchi0q0 : ik = 172 / 865 is = 1 done by processor 0
cchi0q0 : ik = 173 / 865 is = 1 done by processor 0
cchi0q0 : ik = 174 / 865 is = 1 done by processor 0
cchi0q0 : ik = 175 / 865 is = 1 done by processor 0
cchi0q0 : ik = 176 / 865 is = 1 done by processor 0
cchi0q0 : ik = 177 / 865 is = 1 done by processor 0
cchi0q0 : ik = 178 / 865 is = 1 done by processor 0
cchi0q0 : ik = 179 / 865 is = 1 done by processor 0
cchi0q0 : ik = 180 / 865 is = 1 done by processor 0
cchi0q0 : ik = 181 / 865 is = 1 done by processor 0
cchi0q0 : ik = 182 / 865 is = 1 done by processor 0
cchi0q0 : ik = 183 / 865 is = 1 done by processor 0
cchi0q0 : ik = 184 / 865 is = 1 done by processor 0
cchi0q0 : ik = 185 / 865 is = 1 done by processor 0
cchi0q0 : ik = 186 / 865 is = 1 done by processor 0
cchi0q0 : ik = 187 / 865 is = 1 done by processor 0
cchi0q0 : ik = 188 / 865 is = 1 done by processor 0
cchi0q0 : ik = 189 / 865 is = 1 done by processor 0
cchi0q0 : ik = 190 / 865 is = 1 done by processor 0
cchi0q0 : ik = 191 / 865 is = 1 done by processor 0
cchi0q0 : ik = 192 / 865 is = 1 done by processor 0
cchi0q0 : ik = 193 / 865 is = 1 done by processor 0
cchi0q0 : ik = 194 / 865 is = 1 done by processor 0
cchi0q0 : ik = 195 / 865 is = 1 done by processor 0
cchi0q0 : ik = 196 / 865 is = 1 done by processor 0
cchi0q0 : ik = 197 / 865 is = 1 done by processor 0
cchi0q0 : ik = 198 / 865 is = 1 done by processor 0
cchi0q0 : ik = 199 / 865 is = 1 done by processor 0
cchi0q0 : ik = 200 / 865 is = 1 done by processor 0
cchi0q0 : ik = 201 / 865 is = 1 done by processor 0
cchi0q0 : ik = 202 / 865 is = 1 done by processor 0
cchi0q0 : ik = 203 / 865 is = 1 done by processor 0
cchi0q0 : ik = 204 / 865 is = 1 done by processor 0
cchi0q0 : ik = 205 / 865 is = 1 done by processor 0
cchi0q0 : ik = 206 / 865 is = 1 done by processor 0
cchi0q0 : ik = 207 / 865 is = 1 done by processor 0
cchi0q0 : ik = 208 / 865 is = 1 done by processor 0
cchi0q0 : ik = 209 / 865 is = 1 done by processor 0
cchi0q0 : ik = 210 / 865 is = 1 done by processor 0
cchi0q0 : ik = 211 / 865 is = 1 done by processor 0
cchi0q0 : ik = 212 / 865 is = 1 done by processor 0
cchi0q0 : ik = 213 / 865 is = 1 done by processor 0
cchi0q0 : ik = 214 / 865 is = 1 done by processor 0
cchi0q0 : ik = 215 / 865 is = 1 done by processor 0
cchi0q0 : ik = 216 / 865 is = 1 done by processor 0
cchi0q0 : ik = 217 / 865 is = 1 done by processor 0
-P-0000 timing point number 180
-P-0000 -cpu time = 18504.46 seconds
-P-0000 -real time = 18504.46 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 0.000 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 -18.625 -0.246 -0.246 -0.246 0.514 -1.175 -1.175 -1.175
0.000 0.000 0.000 0.000 0.000 -3.440 -0.500 -0.500 -0.500
3 0.000 -0.246 -18.625 -0.246 -0.246 -1.175 0.514 -1.175 -1.175
0.000 0.000 0.000 0.000 0.000 -0.500 -3.440 -0.500 -0.500
4 0.000 -0.246 -0.246 -18.625 -0.246 -1.175 -1.175 0.514 -1.175
0.000 0.000 0.000 0.000 0.000 -0.500 -0.500 -3.440 -0.500
5 0.000 -0.246 -0.246 -0.246 -18.625 -1.175 -1.175 -1.175 0.514
0.000 0.000 0.000 0.000 0.000 -0.500 -0.500 -0.500 -3.440
6 0.000 0.514 -1.175 -1.175 -1.175 -18.625 -0.246 -0.246 -0.246
0.000 3.440 0.500 0.500 0.500 0.000 0.000 0.000 0.000
7 0.000 -1.175 0.514 -1.175 -1.175 -0.246 -18.625 -0.246 -0.246
0.000 0.500 3.440 0.500 0.500 0.000 0.000 0.000 0.000
8 0.000 -1.175 -1.175 0.514 -1.175 -0.246 -0.246 -18.625 -0.246
0.000 0.500 0.500 3.440 0.500 0.000 0.000 0.000 0.000
9 0.000 -1.175 -1.175 -1.175 0.514 -0.246 -0.246 -0.246 -18.625
0.000 0.500 0.500 0.500 3.440 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 -9.004 0.174 0.174 0.174 -0.866 -0.024 -0.025 -0.024
0.000 0.000 0.000 0.000 0.000 -0.777 -0.140 -0.140 -0.140
3 0.000 0.174 -9.004 0.174 0.174 -0.024 -0.866 -0.024 -0.025
0.000 0.000 0.000 0.000 0.000 -0.140 -0.777 -0.140 -0.140
4 0.000 0.174 0.174 -9.004 0.174 -0.025 -0.024 -0.866 -0.024
0.000 0.000 0.000 0.000 0.000 -0.140 -0.140 -0.777 -0.140
5 0.000 0.174 0.174 0.174 -9.004 -0.024 -0.025 -0.024 -0.866
0.000 0.000 0.000 0.000 0.000 -0.140 -0.140 -0.140 -0.777
6 0.000 -0.866 -0.024 -0.025 -0.024 -9.004 0.174 0.174 0.174
0.000 0.777 0.140 0.140 0.140 0.000 0.000 0.000 0.000
7 0.000 -0.024 -0.866 -0.024 -0.025 0.174 -9.004 0.174 0.174
0.000 0.140 0.777 0.140 0.140 0.000 0.000 0.000 0.000
8 0.000 -0.025 -0.024 -0.866 -0.024 0.174 0.174 -9.004 0.174
0.000 0.140 0.140 0.777 0.140 0.000 0.000 0.000 0.000
9 0.000 -0.024 -0.025 -0.024 -0.866 0.174 0.174 0.174 -9.004
0.000 0.140 0.140 0.140 0.777 0.000 0.000 0.000 0.000
-P-0000 timing point number 110
-P-0000 -cpu time = 18504.46 seconds
-P-0000 -real time = 18504.46 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 12.180 -0.175 0.525 -0.525 0.175 0.175 -0.525 0.525 -0.175
0.000 -0.046 0.138 -0.138 0.046 -0.046 0.138 -0.138 0.046
2 -0.175 1.772 0.010 0.010 0.010 -0.021 0.049 0.049 0.049
0.046 0.000 0.000 0.000 0.000 0.143 0.021 0.021 0.021
3 0.525 0.010 1.772 0.010 0.010 0.049 -0.021 0.049 0.049
-0.138 0.000 0.000 0.000 0.000 0.021 0.143 0.021 0.021
4 -0.525 0.010 0.010 1.772 0.010 0.049 0.049 -0.021 0.049
0.138 0.000 0.000 0.000 0.000 0.021 0.021 0.143 0.021
5 0.175 0.010 0.010 0.010 1.772 0.049 0.049 0.049 -0.021
-0.046 0.000 0.000 0.000 0.000 0.021 0.021 0.021 0.143
6 0.175 -0.021 0.049 0.049 0.049 1.772 0.010 0.010 0.010
0.046 -0.143 -0.021 -0.021 -0.021 0.000 0.000 0.000 0.000
7 -0.525 0.049 -0.021 0.049 0.049 0.010 1.772 0.010 0.010
-0.138 -0.021 -0.143 -0.021 -0.021 0.000 0.000 0.000 0.000
8 0.525 0.049 0.049 -0.021 0.049 0.010 0.010 1.772 0.010
0.138 -0.021 -0.021 -0.143 -0.021 0.000 0.000 0.000 0.000
9 -0.175 0.049 0.049 0.049 -0.021 0.010 0.010 0.010 1.772
-0.046 -0.021 -0.021 -0.021 -0.143 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 1.894 -0.036 0.107 -0.107 0.036 0.036 -0.107 0.107 -0.036
0.000 -0.014 0.043 -0.043 0.014 -0.014 0.043 -0.043 0.014
2 -0.036 1.373 -0.007 -0.007 -0.007 0.036 0.001 0.001 0.001
0.014 0.000 0.000 0.000 0.000 0.032 0.006 0.006 0.006
3 0.107 -0.007 1.373 -0.007 -0.007 0.001 0.036 0.001 0.001
-0.043 0.000 0.000 0.000 0.000 0.006 0.032 0.006 0.006
4 -0.107 -0.007 -0.007 1.373 -0.007 0.001 0.001 0.036 0.001
0.043 0.000 0.000 0.000 0.000 0.006 0.006 0.032 0.006
5 0.036 -0.007 -0.007 -0.007 1.373 0.001 0.001 0.001 0.036
-0.014 0.000 0.000 0.000 0.000 0.006 0.006 0.006 0.032
6 0.036 0.036 0.001 0.001 0.001 1.373 -0.007 -0.007 -0.007
0.014 -0.032 -0.006 -0.006 -0.006 0.000 0.000 0.000 0.000
7 -0.107 0.001 0.036 0.001 0.001 -0.007 1.373 -0.007 -0.007
-0.043 -0.006 -0.032 -0.006 -0.006 0.000 0.000 0.000 0.000
8 0.107 0.001 0.001 0.036 0.001 -0.007 -0.007 1.373 -0.007
0.043 -0.006 -0.006 -0.032 -0.006 0.000 0.000 0.000 0.000
9 -0.036 0.001 0.001 0.001 0.036 -0.007 -0.007 -0.007 1.373
-0.014 -0.006 -0.006 -0.006 -0.032 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 0.091 0.009 -0.026 0.026 -0.009 -0.009 0.026 -0.026 0.009
0.000 0.003 -0.008 0.008 -0.003 0.003 -0.008 0.008 -0.003
2 0.009 0.602 -0.001 0.005 0.001 0.009 -0.010 -0.014 -0.011
-0.003 0.000 0.000 0.000 0.000 -0.040 -0.002 0.001 -0.001
3 -0.026 -0.001 0.610 -0.006 0.005 -0.010 0.003 -0.005 -0.014
0.008 0.000 0.000 0.000 0.000 -0.002 -0.036 -0.005 0.001
4 0.026 0.005 -0.006 0.610 -0.001 -0.014 -0.005 0.003 -0.010
-0.008 0.000 0.000 0.000 0.000 0.001 -0.005 -0.036 -0.002
5 -0.009 0.001 0.005 -0.001 0.602 -0.011 -0.014 -0.010 0.009
0.003 0.000 0.000 0.000 0.000 -0.001 0.001 -0.002 -0.040
6 -0.009 0.009 -0.010 -0.014 -0.011 0.602 -0.001 0.005 0.001
-0.003 0.040 0.002 -0.001 0.001 0.000 0.000 0.000 0.000
7 0.026 -0.010 0.003 -0.005 -0.014 -0.001 0.610 -0.006 0.005
0.008 0.002 0.036 0.005 -0.001 0.000 0.000 0.000 0.000
8 -0.026 -0.014 -0.005 0.003 -0.010 0.005 -0.006 0.610 -0.001
-0.008 -0.001 0.005 0.036 0.002 0.000 0.000 0.000 0.000
9 0.009 -0.011 -0.014 -0.010 0.009 0.001 0.005 -0.001 0.602
0.003 0.001 -0.001 0.002 0.040 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 0.542 0.014 -0.042 0.042 -0.014 -0.014 0.042 -0.042 0.014
0.000 0.006 -0.017 0.017 -0.006 0.006 -0.017 0.017 -0.006
2 0.014 0.747 0.004 0.006 0.004 -0.014 0.000 -0.002 -0.001
-0.006 0.000 0.000 0.000 0.000 -0.016 -0.002 0.000 -0.001
3 -0.042 0.004 0.750 0.001 0.006 0.000 -0.017 0.001 -0.002
0.017 0.000 0.000 0.000 0.000 -0.002 -0.013 -0.004 0.000
4 0.042 0.006 0.001 0.750 0.004 -0.002 0.001 -0.017 0.000
-0.017 0.000 0.000 0.000 0.000 0.000 -0.004 -0.013 -0.002
5 -0.014 0.004 0.006 0.004 0.747 -0.001 -0.002 0.000 -0.014
0.006 0.000 0.000 0.000 0.000 -0.001 0.000 -0.002 -0.016
6 -0.014 -0.014 0.000 -0.002 -0.001 0.747 0.004 0.006 0.004
-0.006 0.016 0.002 0.000 0.001 0.000 0.000 0.000 0.000
7 0.042 0.000 -0.017 0.001 -0.002 0.004 0.750 0.001 0.006
0.017 0.002 0.013 0.004 0.000 0.000 0.000 0.000 0.000
8 -0.042 -0.002 0.001 -0.017 0.000 0.006 0.001 0.750 0.004
-0.017 0.000 0.004 0.013 0.002 0.000 0.000 0.000 0.000
9 0.014 -0.001 -0.002 0.000 -0.014 0.004 0.006 0.004 0.747
0.006 0.001 0.000 0.002 0.016 0.000 0.000 0.000 0.000
dielectric constant = 10.9302
dielectric constant without local fields = 12.1802
-P-0000 timing point number 190
-P-0000 -cpu time = 18566.43 seconds
-P-0000 -real time = 18566.43 seconds
-P-0000
q-point number 2 q = (-0.083333,-0.166667, 0.000000) [r.l.u.]
-P-0000 timing point number 200
-P-0000 -cpu time = 18566.43 seconds
-P-0000 -real time = 18566.43 seconds
-P-0000
findggp : Analyzing symmetries at q point : -0.08333-0.16667 0.00000
findggp : found identity with index : 1
symq3 : found symmetry 1 preserves q
symq3 : found symmetry 13 preserves q
findggp : number of independent (G,G') pairs found = 655505 / 1297321
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
-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 0
-P-0000 P screening : treating k-point 29 and spin 1 by node 0
-P-0000 P screening : treating k-point 30 and spin 1 by node 0
-P-0000 P screening : treating k-point 31 and spin 1 by node 0
-P-0000 P screening : treating k-point 32 and spin 1 by node 0
-P-0000 P screening : treating k-point 33 and spin 1 by node 0
-P-0000 P screening : treating k-point 34 and spin 1 by node 0
-P-0000 P screening : treating k-point 35 and spin 1 by node 0
-P-0000 P screening : treating k-point 36 and spin 1 by node 0
-P-0000 P screening : treating k-point 37 and spin 1 by node 0
-P-0000 P screening : treating k-point 38 and spin 1 by node 0
-P-0000 P screening : treating k-point 39 and spin 1 by node 0
-P-0000 P screening : treating k-point 40 and spin 1 by node 0
-P-0000 P screening : treating k-point 41 and spin 1 by node 0
-P-0000 P screening : treating k-point 42 and spin 1 by node 0
-P-0000 P screening : treating k-point 43 and spin 1 by node 0
-P-0000 P screening : treating k-point 44 and spin 1 by node 0
-P-0000 P screening : treating k-point 45 and spin 1 by node 0
-P-0000 P screening : treating k-point 46 and spin 1 by node 0
-P-0000 P screening : treating k-point 47 and spin 1 by node 0
-P-0000 P screening : treating k-point 48 and spin 1 by node 0
-P-0000 P screening : treating k-point 49 and spin 1 by node 0
-P-0000 P screening : treating k-point 50 and spin 1 by node 0
-P-0000 P screening : treating k-point 51 and spin 1 by node 0
-P-0000 P screening : treating k-point 52 and spin 1 by node 0
-P-0000 P screening : treating k-point 53 and spin 1 by node 0
-P-0000 P screening : treating k-point 54 and spin 1 by node 0
-P-0000 P screening : treating k-point 55 and spin 1 by node 0
-P-0000 P screening : treating k-point 56 and spin 1 by node 0
-P-0000 P screening : treating k-point 57 and spin 1 by node 0
-P-0000 P screening : treating k-point 58 and spin 1 by node 0
-P-0000 P screening : treating k-point 59 and spin 1 by node 0
-P-0000 P screening : treating k-point 60 and spin 1 by node 0
-P-0000 P screening : treating k-point 61 and spin 1 by node 0
-P-0000 P screening : treating k-point 62 and spin 1 by node 0
-P-0000 P screening : treating k-point 63 and spin 1 by node 0
-P-0000 P screening : treating k-point 64 and spin 1 by node 0
-P-0000 P screening : treating k-point 65 and spin 1 by node 0
-P-0000 P screening : treating k-point 66 and spin 1 by node 0
-P-0000 P screening : treating k-point 67 and spin 1 by node 0
-P-0000 P screening : treating k-point 68 and spin 1 by node 0
-P-0000 P screening : treating k-point 69 and spin 1 by node 0
-P-0000 P screening : treating k-point 70 and spin 1 by node 0
-P-0000 P screening : treating k-point 71 and spin 1 by node 0
-P-0000 P screening : treating k-point 72 and spin 1 by node 0
-P-0000 P screening : treating k-point 73 and spin 1 by node 0
-P-0000 P screening : treating k-point 74 and spin 1 by node 0
-P-0000 P screening : treating k-point 75 and spin 1 by node 0
-P-0000 P screening : treating k-point 76 and spin 1 by node 0
-P-0000 P screening : treating k-point 77 and spin 1 by node 0
-P-0000 P screening : treating k-point 78 and spin 1 by node 0
-P-0000 P screening : treating k-point 79 and spin 1 by node 0
-P-0000 P screening : treating k-point 80 and spin 1 by node 0
-P-0000 P screening : treating k-point 81 and spin 1 by node 0
-P-0000 P screening : treating k-point 82 and spin 1 by node 0
-P-0000 P screening : treating k-point 83 and spin 1 by node 0
-P-0000 P screening : treating k-point 84 and spin 1 by node 0
-P-0000 P screening : treating k-point 85 and spin 1 by node 0
-P-0000 P screening : treating k-point 86 and spin 1 by node 0
-P-0000 P screening : treating k-point 87 and spin 1 by node 0
-P-0000 P screening : treating k-point 88 and spin 1 by node 0
-P-0000 P screening : treating k-point 89 and spin 1 by node 0
-P-0000 P screening : treating k-point 90 and spin 1 by node 0
-P-0000 P screening : treating k-point 91 and spin 1 by node 0
-P-0000 P screening : treating k-point 92 and spin 1 by node 0
-P-0000 P screening : treating k-point 93 and spin 1 by node 0
-P-0000 P screening : treating k-point 94 and spin 1 by node 0
-P-0000 P screening : treating k-point 95 and spin 1 by node 0
-P-0000 P screening : treating k-point 96 and spin 1 by node 0
-P-0000 P screening : treating k-point 97 and spin 1 by node 0
-P-0000 P screening : treating k-point 98 and spin 1 by node 0
-P-0000 P screening : treating k-point 99 and spin 1 by node 0
-P-0000 P screening : treating k-point 100 and spin 1 by node 0
-P-0000 P screening : treating k-point 101 and spin 1 by node 0
-P-0000 P screening : treating k-point 102 and spin 1 by node 0
-P-0000 P screening : treating k-point 103 and spin 1 by node 0
-P-0000 P screening : treating k-point 104 and spin 1 by node 0
-P-0000 P screening : treating k-point 105 and spin 1 by node 0
-P-0000 P screening : treating k-point 106 and spin 1 by node 0
-P-0000 P screening : treating k-point 107 and spin 1 by node 0
-P-0000 P screening : treating k-point 108 and spin 1 by node 0
-P-0000 P screening : treating k-point 109 and spin 1 by node 0
-P-0000 P screening : treating k-point 110 and spin 1 by node 0
-P-0000 P screening : treating k-point 111 and spin 1 by node 0
-P-0000 P screening : treating k-point 112 and spin 1 by node 0
-P-0000 P screening : treating k-point 113 and spin 1 by node 0
-P-0000 P screening : treating k-point 114 and spin 1 by node 0
-P-0000 P screening : treating k-point 115 and spin 1 by node 0
-P-0000 P screening : treating k-point 116 and spin 1 by node 0
-P-0000 P screening : treating k-point 117 and spin 1 by node 0
-P-0000 P screening : treating k-point 118 and spin 1 by node 0
-P-0000 P screening : treating k-point 119 and spin 1 by node 0
-P-0000 P screening : treating k-point 120 and spin 1 by node 0
-P-0000 P screening : treating k-point 121 and spin 1 by node 0
-P-0000 P screening : treating k-point 122 and spin 1 by node 0
-P-0000 P screening : treating k-point 123 and spin 1 by node 0
-P-0000 P screening : treating k-point 124 and spin 1 by node 0
-P-0000 P screening : treating k-point 125 and spin 1 by node 0
-P-0000 P screening : treating k-point 126 and spin 1 by node 0
-P-0000 P screening : treating k-point 127 and spin 1 by node 0
-P-0000 P screening : treating k-point 128 and spin 1 by node 0
-P-0000 P screening : treating k-point 129 and spin 1 by node 0
-P-0000 P screening : treating k-point 130 and spin 1 by node 0
-P-0000 P screening : treating k-point 131 and spin 1 by node 0
-P-0000 P screening : treating k-point 132 and spin 1 by node 0
-P-0000 P screening : treating k-point 133 and spin 1 by node 0
-P-0000 P screening : treating k-point 134 and spin 1 by node 0
-P-0000 P screening : treating k-point 135 and spin 1 by node 0
-P-0000 P screening : treating k-point 136 and spin 1 by node 0
-P-0000 P screening : treating k-point 137 and spin 1 by node 0
-P-0000 P screening : treating k-point 138 and spin 1 by node 0
-P-0000 P screening : treating k-point 139 and spin 1 by node 0
-P-0000 P screening : treating k-point 140 and spin 1 by node 0
-P-0000 P screening : treating k-point 141 and spin 1 by node 0
-P-0000 P screening : treating k-point 142 and spin 1 by node 0
-P-0000 P screening : treating k-point 143 and spin 1 by node 0
-P-0000 P screening : treating k-point 144 and spin 1 by node 0
-P-0000 P screening : treating k-point 145 and spin 1 by node 0
-P-0000 P screening : treating k-point 146 and spin 1 by node 0
-P-0000 P screening : treating k-point 147 and spin 1 by node 0
-P-0000 P screening : treating k-point 148 and spin 1 by node 0
-P-0000 P screening : treating k-point 149 and spin 1 by node 0
-P-0000 P screening : treating k-point 150 and spin 1 by node 0
-P-0000 P screening : treating k-point 151 and spin 1 by node 0
-P-0000 P screening : treating k-point 152 and spin 1 by node 0
-P-0000 P screening : treating k-point 153 and spin 1 by node 0
-P-0000 P screening : treating k-point 154 and spin 1 by node 0
-P-0000 P screening : treating k-point 155 and spin 1 by node 0
-P-0000 P screening : treating k-point 156 and spin 1 by node 0
-P-0000 P screening : treating k-point 157 and spin 1 by node 0
-P-0000 P screening : treating k-point 158 and spin 1 by node 0
-P-0000 P screening : treating k-point 159 and spin 1 by node 0
-P-0000 P screening : treating k-point 160 and spin 1 by node 0
-P-0000 P screening : treating k-point 161 and spin 1 by node 0
-P-0000 P screening : treating k-point 162 and spin 1 by node 0
-P-0000 P screening : treating k-point 163 and spin 1 by node 0
-P-0000 P screening : treating k-point 164 and spin 1 by node 0
-P-0000 P screening : treating k-point 165 and spin 1 by node 0
-P-0000 P screening : treating k-point 166 and spin 1 by node 0
-P-0000 P screening : treating k-point 167 and spin 1 by node 0
-P-0000 P screening : treating k-point 168 and spin 1 by node 0
-P-0000 P screening : treating k-point 169 and spin 1 by node 0
-P-0000 P screening : treating k-point 170 and spin 1 by node 0
-P-0000 P screening : treating k-point 171 and spin 1 by node 0
-P-0000 P screening : treating k-point 172 and spin 1 by node 0
-P-0000 P screening : treating k-point 173 and spin 1 by node 0
-P-0000 P screening : treating k-point 174 and spin 1 by node 0
-P-0000 P screening : treating k-point 175 and spin 1 by node 0
-P-0000 P screening : treating k-point 176 and spin 1 by node 0
-P-0000 P screening : treating k-point 177 and spin 1 by node 0
-P-0000 P screening : treating k-point 178 and spin 1 by node 0
-P-0000 P screening : treating k-point 179 and spin 1 by node 0
-P-0000 P screening : treating k-point 180 and spin 1 by node 0
-P-0000 P screening : treating k-point 181 and spin 1 by node 0
-P-0000 P screening : treating k-point 182 and spin 1 by node 0
-P-0000 P screening : treating k-point 183 and spin 1 by node 0
-P-0000 P screening : treating k-point 184 and spin 1 by node 0
-P-0000 P screening : treating k-point 185 and spin 1 by node 0
-P-0000 P screening : treating k-point 186 and spin 1 by node 0
-P-0000 P screening : treating k-point 187 and spin 1 by node 0
-P-0000 P screening : treating k-point 188 and spin 1 by node 0
-P-0000 P screening : treating k-point 189 and spin 1 by node 0
-P-0000 P screening : treating k-point 190 and spin 1 by node 0
-P-0000 P screening : treating k-point 191 and spin 1 by node 0
-P-0000 P screening : treating k-point 192 and spin 1 by node 0
-P-0000 P screening : treating k-point 193 and spin 1 by node 0
-P-0000 P screening : treating k-point 194 and spin 1 by node 0
-P-0000 P screening : treating k-point 195 and spin 1 by node 0
-P-0000 P screening : treating k-point 196 and spin 1 by node 0
-P-0000 P screening : treating k-point 197 and spin 1 by node 0
-P-0000 P screening : treating k-point 198 and spin 1 by node 0
-P-0000 P screening : treating k-point 199 and spin 1 by node 0
-P-0000 P screening : treating k-point 200 and spin 1 by node 0
-P-0000 P screening : treating k-point 201 and spin 1 by node 0
-P-0000 P screening : treating k-point 202 and spin 1 by node 0
-P-0000 P screening : treating k-point 203 and spin 1 by node 0
-P-0000 P screening : treating k-point 204 and spin 1 by node 0
-P-0000 P screening : treating k-point 205 and spin 1 by node 0
-P-0000 P screening : treating k-point 206 and spin 1 by node 0
-P-0000 P screening : treating k-point 207 and spin 1 by node 0
-P-0000 P screening : treating k-point 208 and spin 1 by node 0
-P-0000 P screening : treating k-point 209 and spin 1 by node 0
-P-0000 P screening : treating k-point 210 and spin 1 by node 0
-P-0000 P screening : treating k-point 211 and spin 1 by node 0
-P-0000 P screening : treating k-point 212 and spin 1 by node 0
-P-0000 P screening : treating k-point 213 and spin 1 by node 0
-P-0000 P screening : treating k-point 214 and spin 1 by node 0
-P-0000 P screening : treating k-point 215 and spin 1 by node 0
-P-0000 P screening : treating k-point 216 and spin 1 by node 0
-P-0000 P screening : treating k-point 217 and spin 1 by node 0
-P-0000 P screening : treating k-point 218 and spin 1 by node 1
-P-0000 P screening : treating k-point 219 and spin 1 by node 1
-P-0000 P screening : treating k-point 220 and spin 1 by node 1
-P-0000 P screening : treating k-point 221 and spin 1 by node 1
-P-0000 P screening : treating k-point 222 and spin 1 by node 1
-P-0000 P screening : treating k-point 223 and spin 1 by node 1
-P-0000 P screening : treating k-point 224 and spin 1 by node 1
-P-0000 P screening : treating k-point 225 and spin 1 by node 1
-P-0000 P screening : treating k-point 226 and spin 1 by node 1
-P-0000 P screening : treating k-point 227 and spin 1 by node 1
-P-0000 P screening : treating k-point 228 and spin 1 by node 1
-P-0000 P screening : treating k-point 229 and spin 1 by node 1
-P-0000 P screening : treating k-point 230 and spin 1 by node 1
-P-0000 P screening : treating k-point 231 and spin 1 by node 1
-P-0000 P screening : treating k-point 232 and spin 1 by node 1
-P-0000 P screening : treating k-point 233 and spin 1 by node 1
-P-0000 P screening : treating k-point 234 and spin 1 by node 1
-P-0000 P screening : treating k-point 235 and spin 1 by node 1
-P-0000 P screening : treating k-point 236 and spin 1 by node 1
-P-0000 P screening : treating k-point 237 and spin 1 by node 1
-P-0000 P screening : treating k-point 238 and spin 1 by node 1
-P-0000 P screening : treating k-point 239 and spin 1 by node 1
-P-0000 P screening : treating k-point 240 and spin 1 by node 1
-P-0000 P screening : treating k-point 241 and spin 1 by node 1
-P-0000 P screening : treating k-point 242 and spin 1 by node 1
-P-0000 P screening : treating k-point 243 and spin 1 by node 1
-P-0000 P screening : treating k-point 244 and spin 1 by node 1
-P-0000 P screening : treating k-point 245 and spin 1 by node 1
-P-0000 P screening : treating k-point 246 and spin 1 by node 1
-P-0000 P screening : treating k-point 247 and spin 1 by node 1
-P-0000 P screening : treating k-point 248 and spin 1 by node 1
-P-0000 P screening : treating k-point 249 and spin 1 by node 1
-P-0000 P screening : treating k-point 250 and spin 1 by node 1
-P-0000 P screening : treating k-point 251 and spin 1 by node 1
-P-0000 P screening : treating k-point 252 and spin 1 by node 1
-P-0000 P screening : treating k-point 253 and spin 1 by node 1
-P-0000 P screening : treating k-point 254 and spin 1 by node 1
-P-0000 P screening : treating k-point 255 and spin 1 by node 1
-P-0000 P screening : treating k-point 256 and spin 1 by node 1
-P-0000 P screening : treating k-point 257 and spin 1 by node 1
-P-0000 P screening : treating k-point 258 and spin 1 by node 1
-P-0000 P screening : treating k-point 259 and spin 1 by node 1
-P-0000 P screening : treating k-point 260 and spin 1 by node 1
-P-0000 P screening : treating k-point 261 and spin 1 by node 1
-P-0000 P screening : treating k-point 262 and spin 1 by node 1
-P-0000 P screening : treating k-point 263 and spin 1 by node 1
-P-0000 P screening : treating k-point 264 and spin 1 by node 1
-P-0000 P screening : treating k-point 265 and spin 1 by node 1
-P-0000 P screening : treating k-point 266 and spin 1 by node 1
-P-0000 P screening : treating k-point 267 and spin 1 by node 1
-P-0000 P screening : treating k-point 268 and spin 1 by node 1
-P-0000 P screening : treating k-point 269 and spin 1 by node 1
-P-0000 P screening : treating k-point 270 and spin 1 by node 1
-P-0000 P screening : treating k-point 271 and spin 1 by node 1
-P-0000 P screening : treating k-point 272 and spin 1 by node 1
-P-0000 P screening : treating k-point 273 and spin 1 by node 1
-P-0000 P screening : treating k-point 274 and spin 1 by node 1
-P-0000 P screening : treating k-point 275 and spin 1 by node 1
-P-0000 P screening : treating k-point 276 and spin 1 by node 1
-P-0000 P screening : treating k-point 277 and spin 1 by node 1
-P-0000 P screening : treating k-point 278 and spin 1 by node 1
-P-0000 P screening : treating k-point 279 and spin 1 by node 1
-P-0000 P screening : treating k-point 280 and spin 1 by node 1
-P-0000 P screening : treating k-point 281 and spin 1 by node 1
-P-0000 P screening : treating k-point 282 and spin 1 by node 1
-P-0000 P screening : treating k-point 283 and spin 1 by node 1
-P-0000 P screening : treating k-point 284 and spin 1 by node 1
-P-0000 P screening : treating k-point 285 and spin 1 by node 1
-P-0000 P screening : treating k-point 286 and spin 1 by node 1
-P-0000 P screening : treating k-point 287 and spin 1 by node 1
-P-0000 P screening : treating k-point 288 and spin 1 by node 1
-P-0000 P screening : treating k-point 289 and spin 1 by node 1
-P-0000 P screening : treating k-point 290 and spin 1 by node 1
-P-0000 P screening : treating k-point 291 and spin 1 by node 1
-P-0000 P screening : treating k-point 292 and spin 1 by node 1
-P-0000 P screening : treating k-point 293 and spin 1 by node 1
-P-0000 P screening : treating k-point 294 and spin 1 by node 1
-P-0000 P screening : treating k-point 295 and spin 1 by node 1
-P-0000 P screening : treating k-point 296 and spin 1 by node 1
-P-0000 P screening : treating k-point 297 and spin 1 by node 1
-P-0000 P screening : treating k-point 298 and spin 1 by node 1
-P-0000 P screening : treating k-point 299 and spin 1 by node 1
-P-0000 P screening : treating k-point 300 and spin 1 by node 1
-P-0000 P screening : treating k-point 301 and spin 1 by node 1
-P-0000 P screening : treating k-point 302 and spin 1 by node 1
-P-0000 P screening : treating k-point 303 and spin 1 by node 1
-P-0000 P screening : treating k-point 304 and spin 1 by node 1
-P-0000 P screening : treating k-point 305 and spin 1 by node 1
-P-0000 P screening : treating k-point 306 and spin 1 by node 1
-P-0000 P screening : treating k-point 307 and spin 1 by node 1
-P-0000 P screening : treating k-point 308 and spin 1 by node 1
-P-0000 P screening : treating k-point 309 and spin 1 by node 1
-P-0000 P screening : treating k-point 310 and spin 1 by node 1
-P-0000 P screening : treating k-point 311 and spin 1 by node 1
-P-0000 P screening : treating k-point 312 and spin 1 by node 1
-P-0000 P screening : treating k-point 313 and spin 1 by node 1
-P-0000 P screening : treating k-point 314 and spin 1 by node 1
-P-0000 P screening : treating k-point 315 and spin 1 by node 1
-P-0000 P screening : treating k-point 316 and spin 1 by node 1
-P-0000 P screening : treating k-point 317 and spin 1 by node 1
-P-0000 P screening : treating k-point 318 and spin 1 by node 1
-P-0000 P screening : treating k-point 319 and spin 1 by node 1
-P-0000 P screening : treating k-point 320 and spin 1 by node 1
-P-0000 P screening : treating k-point 321 and spin 1 by node 1
-P-0000 P screening : treating k-point 322 and spin 1 by node 1
-P-0000 P screening : treating k-point 323 and spin 1 by node 1
-P-0000 P screening : treating k-point 324 and spin 1 by node 1
-P-0000 P screening : treating k-point 325 and spin 1 by node 1
-P-0000 P screening : treating k-point 326 and spin 1 by node 1
-P-0000 P screening : treating k-point 327 and spin 1 by node 1
-P-0000 P screening : treating k-point 328 and spin 1 by node 1
-P-0000 P screening : treating k-point 329 and spin 1 by node 1
-P-0000 P screening : treating k-point 330 and spin 1 by node 1
-P-0000 P screening : treating k-point 331 and spin 1 by node 1
-P-0000 P screening : treating k-point 332 and spin 1 by node 1
-P-0000 P screening : treating k-point 333 and spin 1 by node 1
-P-0000 P screening : treating k-point 334 and spin 1 by node 1
-P-0000 P screening : treating k-point 335 and spin 1 by node 1
-P-0000 P screening : treating k-point 336 and spin 1 by node 1
-P-0000 P screening : treating k-point 337 and spin 1 by node 1
-P-0000 P screening : treating k-point 338 and spin 1 by node 1
-P-0000 P screening : treating k-point 339 and spin 1 by node 1
-P-0000 P screening : treating k-point 340 and spin 1 by node 1
-P-0000 P screening : treating k-point 341 and spin 1 by node 1
-P-0000 P screening : treating k-point 342 and spin 1 by node 1
-P-0000 P screening : treating k-point 343 and spin 1 by node 1
-P-0000 P screening : treating k-point 344 and spin 1 by node 1
-P-0000 P screening : treating k-point 345 and spin 1 by node 1
-P-0000 P screening : treating k-point 346 and spin 1 by node 1
-P-0000 P screening : treating k-point 347 and spin 1 by node 1
-P-0000 P screening : treating k-point 348 and spin 1 by node 1
-P-0000 P screening : treating k-point 349 and spin 1 by node 1
-P-0000 P screening : treating k-point 350 and spin 1 by node 1
-P-0000 P screening : treating k-point 351 and spin 1 by node 1
-P-0000 P screening : treating k-point 352 and spin 1 by node 1
-P-0000 P screening : treating k-point 353 and spin 1 by node 1
-P-0000 P screening : treating k-point 354 and spin 1 by node 1
-P-0000 P screening : treating k-point 355 and spin 1 by node 1
-P-0000 P screening : treating k-point 356 and spin 1 by node 1
-P-0000 P screening : treating k-point 357 and spin 1 by node 1
-P-0000 P screening : treating k-point 358 and spin 1 by node 1
-P-0000 P screening : treating k-point 359 and spin 1 by node 1
-P-0000 P screening : treating k-point 360 and spin 1 by node 1
-P-0000 P screening : treating k-point 361 and spin 1 by node 1
-P-0000 P screening : treating k-point 362 and spin 1 by node 1
-P-0000 P screening : treating k-point 363 and spin 1 by node 1
-P-0000 P screening : treating k-point 364 and spin 1 by node 1
-P-0000 P screening : treating k-point 365 and spin 1 by node 1
-P-0000 P screening : treating k-point 366 and spin 1 by node 1
-P-0000 P screening : treating k-point 367 and spin 1 by node 1
-P-0000 P screening : treating k-point 368 and spin 1 by node 1
-P-0000 P screening : treating k-point 369 and spin 1 by node 1
-P-0000 P screening : treating k-point 370 and spin 1 by node 1
-P-0000 P screening : treating k-point 371 and spin 1 by node 1
-P-0000 P screening : treating k-point 372 and spin 1 by node 1
-P-0000 P screening : treating k-point 373 and spin 1 by node 1
-P-0000 P screening : treating k-point 374 and spin 1 by node 1
-P-0000 P screening : treating k-point 375 and spin 1 by node 1
-P-0000 P screening : treating k-point 376 and spin 1 by node 1
-P-0000 P screening : treating k-point 377 and spin 1 by node 1
-P-0000 P screening : treating k-point 378 and spin 1 by node 1
-P-0000 P screening : treating k-point 379 and spin 1 by node 1
-P-0000 P screening : treating k-point 380 and spin 1 by node 1
-P-0000 P screening : treating k-point 381 and spin 1 by node 1
-P-0000 P screening : treating k-point 382 and spin 1 by node 1
-P-0000 P screening : treating k-point 383 and spin 1 by node 1
-P-0000 P screening : treating k-point 384 and spin 1 by node 1
-P-0000 P screening : treating k-point 385 and spin 1 by node 1
-P-0000 P screening : treating k-point 386 and spin 1 by node 1
-P-0000 P screening : treating k-point 387 and spin 1 by node 1
-P-0000 P screening : treating k-point 388 and spin 1 by node 1
-P-0000 P screening : treating k-point 389 and spin 1 by node 1
-P-0000 P screening : treating k-point 390 and spin 1 by node 1
-P-0000 P screening : treating k-point 391 and spin 1 by node 1
-P-0000 P screening : treating k-point 392 and spin 1 by node 1
-P-0000 P screening : treating k-point 393 and spin 1 by node 1
-P-0000 P screening : treating k-point 394 and spin 1 by node 1
-P-0000 P screening : treating k-point 395 and spin 1 by node 1
-P-0000 P screening : treating k-point 396 and spin 1 by node 1
-P-0000 P screening : treating k-point 397 and spin 1 by node 1
-P-0000 P screening : treating k-point 398 and spin 1 by node 1
-P-0000 P screening : treating k-point 399 and spin 1 by node 1
-P-0000 P screening : treating k-point 400 and spin 1 by node 1
-P-0000 P screening : treating k-point 401 and spin 1 by node 1
-P-0000 P screening : treating k-point 402 and spin 1 by node 1
-P-0000 P screening : treating k-point 403 and spin 1 by node 1
-P-0000 P screening : treating k-point 404 and spin 1 by node 1
-P-0000 P screening : treating k-point 405 and spin 1 by node 1
-P-0000 P screening : treating k-point 406 and spin 1 by node 1
-P-0000 P screening : treating k-point 407 and spin 1 by node 1
-P-0000 P screening : treating k-point 408 and spin 1 by node 1
-P-0000 P screening : treating k-point 409 and spin 1 by node 1
-P-0000 P screening : treating k-point 410 and spin 1 by node 1
-P-0000 P screening : treating k-point 411 and spin 1 by node 1
-P-0000 P screening : treating k-point 412 and spin 1 by node 1
-P-0000 P screening : treating k-point 413 and spin 1 by node 1
-P-0000 P screening : treating k-point 414 and spin 1 by node 1
-P-0000 P screening : treating k-point 415 and spin 1 by node 1
-P-0000 P screening : treating k-point 416 and spin 1 by node 1
-P-0000 P screening : treating k-point 417 and spin 1 by node 1
-P-0000 P screening : treating k-point 418 and spin 1 by node 1
-P-0000 P screening : treating k-point 419 and spin 1 by node 1
-P-0000 P screening : treating k-point 420 and spin 1 by node 1
-P-0000 P screening : treating k-point 421 and spin 1 by node 1
-P-0000 P screening : treating k-point 422 and spin 1 by node 1
-P-0000 P screening : treating k-point 423 and spin 1 by node 1
-P-0000 P screening : treating k-point 424 and spin 1 by node 1
-P-0000 P screening : treating k-point 425 and spin 1 by node 1
-P-0000 P screening : treating k-point 426 and spin 1 by node 1
-P-0000 P screening : treating k-point 427 and spin 1 by node 1
-P-0000 P screening : treating k-point 428 and spin 1 by node 1
-P-0000 P screening : treating k-point 429 and spin 1 by node 1
-P-0000 P screening : treating k-point 430 and spin 1 by node 1
-P-0000 P screening : treating k-point 431 and spin 1 by node 1
-P-0000 P screening : treating k-point 432 and spin 1 by node 1
-P-0000 P screening : treating k-point 433 and spin 1 by node 1
-P-0000 P screening : treating k-point 434 and spin 1 by node 1
-P-0000 P screening : treating k-point 435 and spin 1 by node 2
-P-0000 P screening : treating k-point 436 and spin 1 by node 2
-P-0000 P screening : treating k-point 437 and spin 1 by node 2
-P-0000 P screening : treating k-point 438 and spin 1 by node 2
-P-0000 P screening : treating k-point 439 and spin 1 by node 2
-P-0000 P screening : treating k-point 440 and spin 1 by node 2
-P-0000 P screening : treating k-point 441 and spin 1 by node 2
-P-0000 P screening : treating k-point 442 and spin 1 by node 2
-P-0000 P screening : treating k-point 443 and spin 1 by node 2
-P-0000 P screening : treating k-point 444 and spin 1 by node 2
-P-0000 P screening : treating k-point 445 and spin 1 by node 2
-P-0000 P screening : treating k-point 446 and spin 1 by node 2
-P-0000 P screening : treating k-point 447 and spin 1 by node 2
-P-0000 P screening : treating k-point 448 and spin 1 by node 2
-P-0000 P screening : treating k-point 449 and spin 1 by node 2
-P-0000 P screening : treating k-point 450 and spin 1 by node 2
-P-0000 P screening : treating k-point 451 and spin 1 by node 2
-P-0000 P screening : treating k-point 452 and spin 1 by node 2
-P-0000 P screening : treating k-point 453 and spin 1 by node 2
-P-0000 P screening : treating k-point 454 and spin 1 by node 2
-P-0000 P screening : treating k-point 455 and spin 1 by node 2
-P-0000 P screening : treating k-point 456 and spin 1 by node 2
-P-0000 P screening : treating k-point 457 and spin 1 by node 2
-P-0000 P screening : treating k-point 458 and spin 1 by node 2
-P-0000 P screening : treating k-point 459 and spin 1 by node 2
-P-0000 P screening : treating k-point 460 and spin 1 by node 2
-P-0000 P screening : treating k-point 461 and spin 1 by node 2
-P-0000 P screening : treating k-point 462 and spin 1 by node 2
-P-0000 P screening : treating k-point 463 and spin 1 by node 2
-P-0000 P screening : treating k-point 464 and spin 1 by node 2
-P-0000 P screening : treating k-point 465 and spin 1 by node 2
-P-0000 P screening : treating k-point 466 and spin 1 by node 2
-P-0000 P screening : treating k-point 467 and spin 1 by node 2
-P-0000 P screening : treating k-point 468 and spin 1 by node 2
-P-0000 P screening : treating k-point 469 and spin 1 by node 2
-P-0000 P screening : treating k-point 470 and spin 1 by node 2
-P-0000 P screening : treating k-point 471 and spin 1 by node 2
-P-0000 P screening : treating k-point 472 and spin 1 by node 2
-P-0000 P screening : treating k-point 473 and spin 1 by node 2
-P-0000 P screening : treating k-point 474 and spin 1 by node 2
-P-0000 P screening : treating k-point 475 and spin 1 by node 2
-P-0000 P screening : treating k-point 476 and spin 1 by node 2
-P-0000 P screening : treating k-point 477 and spin 1 by node 2
-P-0000 P screening : treating k-point 478 and spin 1 by node 2
-P-0000 P screening : treating k-point 479 and spin 1 by node 2
-P-0000 P screening : treating k-point 480 and spin 1 by node 2
-P-0000 P screening : treating k-point 481 and spin 1 by node 2
-P-0000 P screening : treating k-point 482 and spin 1 by node 2
-P-0000 P screening : treating k-point 483 and spin 1 by node 2
-P-0000 P screening : treating k-point 484 and spin 1 by node 2
-P-0000 P screening : treating k-point 485 and spin 1 by node 2
-P-0000 P screening : treating k-point 486 and spin 1 by node 2
-P-0000 P screening : treating k-point 487 and spin 1 by node 2
-P-0000 P screening : treating k-point 488 and spin 1 by node 2
-P-0000 P screening : treating k-point 489 and spin 1 by node 2
-P-0000 P screening : treating k-point 490 and spin 1 by node 2
-P-0000 P screening : treating k-point 491 and spin 1 by node 2
-P-0000 P screening : treating k-point 492 and spin 1 by node 2
-P-0000 P screening : treating k-point 493 and spin 1 by node 2
-P-0000 P screening : treating k-point 494 and spin 1 by node 2
-P-0000 P screening : treating k-point 495 and spin 1 by node 2
-P-0000 P screening : treating k-point 496 and spin 1 by node 2
-P-0000 P screening : treating k-point 497 and spin 1 by node 2
-P-0000 P screening : treating k-point 498 and spin 1 by node 2
-P-0000 P screening : treating k-point 499 and spin 1 by node 2
-P-0000 P screening : treating k-point 500 and spin 1 by node 2
-P-0000 P screening : treating k-point 501 and spin 1 by node 2
-P-0000 P screening : treating k-point 502 and spin 1 by node 2
-P-0000 P screening : treating k-point 503 and spin 1 by node 2
-P-0000 P screening : treating k-point 504 and spin 1 by node 2
-P-0000 P screening : treating k-point 505 and spin 1 by node 2
-P-0000 P screening : treating k-point 506 and spin 1 by node 2
-P-0000 P screening : treating k-point 507 and spin 1 by node 2
-P-0000 P screening : treating k-point 508 and spin 1 by node 2
-P-0000 P screening : treating k-point 509 and spin 1 by node 2
-P-0000 P screening : treating k-point 510 and spin 1 by node 2
-P-0000 P screening : treating k-point 511 and spin 1 by node 2
-P-0000 P screening : treating k-point 512 and spin 1 by node 2
-P-0000 P screening : treating k-point 513 and spin 1 by node 2
-P-0000 P screening : treating k-point 514 and spin 1 by node 2
-P-0000 P screening : treating k-point 515 and spin 1 by node 2
-P-0000 P screening : treating k-point 516 and spin 1 by node 2
-P-0000 P screening : treating k-point 517 and spin 1 by node 2
-P-0000 P screening : treating k-point 518 and spin 1 by node 2
-P-0000 P screening : treating k-point 519 and spin 1 by node 2
-P-0000 P screening : treating k-point 520 and spin 1 by node 2
-P-0000 P screening : treating k-point 521 and spin 1 by node 2
-P-0000 P screening : treating k-point 522 and spin 1 by node 2
-P-0000 P screening : treating k-point 523 and spin 1 by node 2
-P-0000 P screening : treating k-point 524 and spin 1 by node 2
-P-0000 P screening : treating k-point 525 and spin 1 by node 2
-P-0000 P screening : treating k-point 526 and spin 1 by node 2
-P-0000 P screening : treating k-point 527 and spin 1 by node 2
-P-0000 P screening : treating k-point 528 and spin 1 by node 2
-P-0000 P screening : treating k-point 529 and spin 1 by node 2
-P-0000 P screening : treating k-point 530 and spin 1 by node 2
-P-0000 P screening : treating k-point 531 and spin 1 by node 2
-P-0000 P screening : treating k-point 532 and spin 1 by node 2
-P-0000 P screening : treating k-point 533 and spin 1 by node 2
-P-0000 P screening : treating k-point 534 and spin 1 by node 2
-P-0000 P screening : treating k-point 535 and spin 1 by node 2
-P-0000 P screening : treating k-point 536 and spin 1 by node 2
-P-0000 P screening : treating k-point 537 and spin 1 by node 2
-P-0000 P screening : treating k-point 538 and spin 1 by node 2
-P-0000 P screening : treating k-point 539 and spin 1 by node 2
-P-0000 P screening : treating k-point 540 and spin 1 by node 2
-P-0000 P screening : treating k-point 541 and spin 1 by node 2
-P-0000 P screening : treating k-point 542 and spin 1 by node 2
-P-0000 P screening : treating k-point 543 and spin 1 by node 2
-P-0000 P screening : treating k-point 544 and spin 1 by node 2
-P-0000 P screening : treating k-point 545 and spin 1 by node 2
-P-0000 P screening : treating k-point 546 and spin 1 by node 2
-P-0000 P screening : treating k-point 547 and spin 1 by node 2
-P-0000 P screening : treating k-point 548 and spin 1 by node 2
-P-0000 P screening : treating k-point 549 and spin 1 by node 2
-P-0000 P screening : treating k-point 550 and spin 1 by node 2
-P-0000 P screening : treating k-point 551 and spin 1 by node 2
-P-0000 P screening : treating k-point 552 and spin 1 by node 2
-P-0000 P screening : treating k-point 553 and spin 1 by node 2
-P-0000 P screening : treating k-point 554 and spin 1 by node 2
-P-0000 P screening : treating k-point 555 and spin 1 by node 2
-P-0000 P screening : treating k-point 556 and spin 1 by node 2
-P-0000 P screening : treating k-point 557 and spin 1 by node 2
-P-0000 P screening : treating k-point 558 and spin 1 by node 2
-P-0000 P screening : treating k-point 559 and spin 1 by node 2
-P-0000 P screening : treating k-point 560 and spin 1 by node 2
-P-0000 P screening : treating k-point 561 and spin 1 by node 2
-P-0000 P screening : treating k-point 562 and spin 1 by node 2
-P-0000 P screening : treating k-point 563 and spin 1 by node 2
-P-0000 P screening : treating k-point 564 and spin 1 by node 2
-P-0000 P screening : treating k-point 565 and spin 1 by node 2
-P-0000 P screening : treating k-point 566 and spin 1 by node 2
-P-0000 P screening : treating k-point 567 and spin 1 by node 2
-P-0000 P screening : treating k-point 568 and spin 1 by node 2
-P-0000 P screening : treating k-point 569 and spin 1 by node 2
-P-0000 P screening : treating k-point 570 and spin 1 by node 2
-P-0000 P screening : treating k-point 571 and spin 1 by node 2
-P-0000 P screening : treating k-point 572 and spin 1 by node 2
-P-0000 P screening : treating k-point 573 and spin 1 by node 2
-P-0000 P screening : treating k-point 574 and spin 1 by node 2
-P-0000 P screening : treating k-point 575 and spin 1 by node 2
-P-0000 P screening : treating k-point 576 and spin 1 by node 2
-P-0000 P screening : treating k-point 577 and spin 1 by node 2
-P-0000 P screening : treating k-point 578 and spin 1 by node 2
-P-0000 P screening : treating k-point 579 and spin 1 by node 2
-P-0000 P screening : treating k-point 580 and spin 1 by node 2
-P-0000 P screening : treating k-point 581 and spin 1 by node 2
-P-0000 P screening : treating k-point 582 and spin 1 by node 2
-P-0000 P screening : treating k-point 583 and spin 1 by node 2
-P-0000 P screening : treating k-point 584 and spin 1 by node 2
-P-0000 P screening : treating k-point 585 and spin 1 by node 2
-P-0000 P screening : treating k-point 586 and spin 1 by node 2
-P-0000 P screening : treating k-point 587 and spin 1 by node 2
-P-0000 P screening : treating k-point 588 and spin 1 by node 2
-P-0000 P screening : treating k-point 589 and spin 1 by node 2
-P-0000 P screening : treating k-point 590 and spin 1 by node 2
-P-0000 P screening : treating k-point 591 and spin 1 by node 2
-P-0000 P screening : treating k-point 592 and spin 1 by node 2
-P-0000 P screening : treating k-point 593 and spin 1 by node 2
-P-0000 P screening : treating k-point 594 and spin 1 by node 2
-P-0000 P screening : treating k-point 595 and spin 1 by node 2
-P-0000 P screening : treating k-point 596 and spin 1 by node 2
-P-0000 P screening : treating k-point 597 and spin 1 by node 2
-P-0000 P screening : treating k-point 598 and spin 1 by node 2
-P-0000 P screening : treating k-point 599 and spin 1 by node 2
-P-0000 P screening : treating k-point 600 and spin 1 by node 2
-P-0000 P screening : treating k-point 601 and spin 1 by node 2
-P-0000 P screening : treating k-point 602 and spin 1 by node 2
-P-0000 P screening : treating k-point 603 and spin 1 by node 2
-P-0000 P screening : treating k-point 604 and spin 1 by node 2
-P-0000 P screening : treating k-point 605 and spin 1 by node 2
-P-0000 P screening : treating k-point 606 and spin 1 by node 2
-P-0000 P screening : treating k-point 607 and spin 1 by node 2
-P-0000 P screening : treating k-point 608 and spin 1 by node 2
-P-0000 P screening : treating k-point 609 and spin 1 by node 2
-P-0000 P screening : treating k-point 610 and spin 1 by node 2
-P-0000 P screening : treating k-point 611 and spin 1 by node 2
-P-0000 P screening : treating k-point 612 and spin 1 by node 2
-P-0000 P screening : treating k-point 613 and spin 1 by node 2
-P-0000 P screening : treating k-point 614 and spin 1 by node 2
-P-0000 P screening : treating k-point 615 and spin 1 by node 2
-P-0000 P screening : treating k-point 616 and spin 1 by node 2
-P-0000 P screening : treating k-point 617 and spin 1 by node 2
-P-0000 P screening : treating k-point 618 and spin 1 by node 2
-P-0000 P screening : treating k-point 619 and spin 1 by node 2
-P-0000 P screening : treating k-point 620 and spin 1 by node 2
-P-0000 P screening : treating k-point 621 and spin 1 by node 2
-P-0000 P screening : treating k-point 622 and spin 1 by node 2
-P-0000 P screening : treating k-point 623 and spin 1 by node 2
-P-0000 P screening : treating k-point 624 and spin 1 by node 2
-P-0000 P screening : treating k-point 625 and spin 1 by node 2
-P-0000 P screening : treating k-point 626 and spin 1 by node 2
-P-0000 P screening : treating k-point 627 and spin 1 by node 2
-P-0000 P screening : treating k-point 628 and spin 1 by node 2
-P-0000 P screening : treating k-point 629 and spin 1 by node 2
-P-0000 P screening : treating k-point 630 and spin 1 by node 2
-P-0000 P screening : treating k-point 631 and spin 1 by node 2
-P-0000 P screening : treating k-point 632 and spin 1 by node 2
-P-0000 P screening : treating k-point 633 and spin 1 by node 2
-P-0000 P screening : treating k-point 634 and spin 1 by node 2
-P-0000 P screening : treating k-point 635 and spin 1 by node 2
-P-0000 P screening : treating k-point 636 and spin 1 by node 2
-P-0000 P screening : treating k-point 637 and spin 1 by node 2
-P-0000 P screening : treating k-point 638 and spin 1 by node 2
-P-0000 P screening : treating k-point 639 and spin 1 by node 2
-P-0000 P screening : treating k-point 640 and spin 1 by node 2
-P-0000 P screening : treating k-point 641 and spin 1 by node 2
-P-0000 P screening : treating k-point 642 and spin 1 by node 2
-P-0000 P screening : treating k-point 643 and spin 1 by node 2
-P-0000 P screening : treating k-point 644 and spin 1 by node 2
-P-0000 P screening : treating k-point 645 and spin 1 by node 2
-P-0000 P screening : treating k-point 646 and spin 1 by node 2
-P-0000 P screening : treating k-point 647 and spin 1 by node 2
-P-0000 P screening : treating k-point 648 and spin 1 by node 2
-P-0000 P screening : treating k-point 649 and spin 1 by node 2
-P-0000 P screening : treating k-point 650 and spin 1 by node 2
-P-0000 P screening : treating k-point 651 and spin 1 by node 2
-P-0000 P screening : treating k-point 652 and spin 1 by node 3
-P-0000 P screening : treating k-point 653 and spin 1 by node 3
-P-0000 P screening : treating k-point 654 and spin 1 by node 3
-P-0000 P screening : treating k-point 655 and spin 1 by node 3
-P-0000 P screening : treating k-point 656 and spin 1 by node 3
-P-0000 P screening : treating k-point 657 and spin 1 by node 3
-P-0000 P screening : treating k-point 658 and spin 1 by node 3
-P-0000 P screening : treating k-point 659 and spin 1 by node 3
-P-0000 P screening : treating k-point 660 and spin 1 by node 3
-P-0000 P screening : treating k-point 661 and spin 1 by node 3
-P-0000 P screening : treating k-point 662 and spin 1 by node 3
-P-0000 P screening : treating k-point 663 and spin 1 by node 3
-P-0000 P screening : treating k-point 664 and spin 1 by node 3
-P-0000 P screening : treating k-point 665 and spin 1 by node 3
-P-0000 P screening : treating k-point 666 and spin 1 by node 3
-P-0000 P screening : treating k-point 667 and spin 1 by node 3
-P-0000 P screening : treating k-point 668 and spin 1 by node 3
-P-0000 P screening : treating k-point 669 and spin 1 by node 3
-P-0000 P screening : treating k-point 670 and spin 1 by node 3
-P-0000 P screening : treating k-point 671 and spin 1 by node 3
-P-0000 P screening : treating k-point 672 and spin 1 by node 3
-P-0000 P screening : treating k-point 673 and spin 1 by node 3
-P-0000 P screening : treating k-point 674 and spin 1 by node 3
-P-0000 P screening : treating k-point 675 and spin 1 by node 3
-P-0000 P screening : treating k-point 676 and spin 1 by node 3
-P-0000 P screening : treating k-point 677 and spin 1 by node 3
-P-0000 P screening : treating k-point 678 and spin 1 by node 3
-P-0000 P screening : treating k-point 679 and spin 1 by node 3
-P-0000 P screening : treating k-point 680 and spin 1 by node 3
-P-0000 P screening : treating k-point 681 and spin 1 by node 3
-P-0000 P screening : treating k-point 682 and spin 1 by node 3
-P-0000 P screening : treating k-point 683 and spin 1 by node 3
-P-0000 P screening : treating k-point 684 and spin 1 by node 3
-P-0000 P screening : treating k-point 685 and spin 1 by node 3
-P-0000 P screening : treating k-point 686 and spin 1 by node 3
-P-0000 P screening : treating k-point 687 and spin 1 by node 3
-P-0000 P screening : treating k-point 688 and spin 1 by node 3
-P-0000 P screening : treating k-point 689 and spin 1 by node 3
-P-0000 P screening : treating k-point 690 and spin 1 by node 3
-P-0000 P screening : treating k-point 691 and spin 1 by node 3
-P-0000 P screening : treating k-point 692 and spin 1 by node 3
-P-0000 P screening : treating k-point 693 and spin 1 by node 3
-P-0000 P screening : treating k-point 694 and spin 1 by node 3
-P-0000 P screening : treating k-point 695 and spin 1 by node 3
-P-0000 P screening : treating k-point 696 and spin 1 by node 3
-P-0000 P screening : treating k-point 697 and spin 1 by node 3
-P-0000 P screening : treating k-point 698 and spin 1 by node 3
-P-0000 P screening : treating k-point 699 and spin 1 by node 3
-P-0000 P screening : treating k-point 700 and spin 1 by node 3
-P-0000 P screening : treating k-point 701 and spin 1 by node 3
-P-0000 P screening : treating k-point 702 and spin 1 by node 3
-P-0000 P screening : treating k-point 703 and spin 1 by node 3
-P-0000 P screening : treating k-point 704 and spin 1 by node 3
-P-0000 P screening : treating k-point 705 and spin 1 by node 3
-P-0000 P screening : treating k-point 706 and spin 1 by node 3
-P-0000 P screening : treating k-point 707 and spin 1 by node 3
-P-0000 P screening : treating k-point 708 and spin 1 by node 3
-P-0000 P screening : treating k-point 709 and spin 1 by node 3
-P-0000 P screening : treating k-point 710 and spin 1 by node 3
-P-0000 P screening : treating k-point 711 and spin 1 by node 3
-P-0000 P screening : treating k-point 712 and spin 1 by node 3
-P-0000 P screening : treating k-point 713 and spin 1 by node 3
-P-0000 P screening : treating k-point 714 and spin 1 by node 3
-P-0000 P screening : treating k-point 715 and spin 1 by node 3
-P-0000 P screening : treating k-point 716 and spin 1 by node 3
-P-0000 P screening : treating k-point 717 and spin 1 by node 3
-P-0000 P screening : treating k-point 718 and spin 1 by node 3
-P-0000 P screening : treating k-point 719 and spin 1 by node 3
-P-0000 P screening : treating k-point 720 and spin 1 by node 3
-P-0000 P screening : treating k-point 721 and spin 1 by node 3
-P-0000 P screening : treating k-point 722 and spin 1 by node 3
-P-0000 P screening : treating k-point 723 and spin 1 by node 3
-P-0000 P screening : treating k-point 724 and spin 1 by node 3
-P-0000 P screening : treating k-point 725 and spin 1 by node 3
-P-0000 P screening : treating k-point 726 and spin 1 by node 3
-P-0000 P screening : treating k-point 727 and spin 1 by node 3
-P-0000 P screening : treating k-point 728 and spin 1 by node 3
-P-0000 P screening : treating k-point 729 and spin 1 by node 3
-P-0000 P screening : treating k-point 730 and spin 1 by node 3
-P-0000 P screening : treating k-point 731 and spin 1 by node 3
-P-0000 P screening : treating k-point 732 and spin 1 by node 3
-P-0000 P screening : treating k-point 733 and spin 1 by node 3
-P-0000 P screening : treating k-point 734 and spin 1 by node 3
-P-0000 P screening : treating k-point 735 and spin 1 by node 3
-P-0000 P screening : treating k-point 736 and spin 1 by node 3
-P-0000 P screening : treating k-point 737 and spin 1 by node 3
-P-0000 P screening : treating k-point 738 and spin 1 by node 3
-P-0000 P screening : treating k-point 739 and spin 1 by node 3
-P-0000 P screening : treating k-point 740 and spin 1 by node 3
-P-0000 P screening : treating k-point 741 and spin 1 by node 3
-P-0000 P screening : treating k-point 742 and spin 1 by node 3
-P-0000 P screening : treating k-point 743 and spin 1 by node 3
-P-0000 P screening : treating k-point 744 and spin 1 by node 3
-P-0000 P screening : treating k-point 745 and spin 1 by node 3
-P-0000 P screening : treating k-point 746 and spin 1 by node 3
-P-0000 P screening : treating k-point 747 and spin 1 by node 3
-P-0000 P screening : treating k-point 748 and spin 1 by node 3
-P-0000 P screening : treating k-point 749 and spin 1 by node 3
-P-0000 P screening : treating k-point 750 and spin 1 by node 3
-P-0000 P screening : treating k-point 751 and spin 1 by node 3
-P-0000 P screening : treating k-point 752 and spin 1 by node 3
-P-0000 P screening : treating k-point 753 and spin 1 by node 3
-P-0000 P screening : treating k-point 754 and spin 1 by node 3
-P-0000 P screening : treating k-point 755 and spin 1 by node 3
-P-0000 P screening : treating k-point 756 and spin 1 by node 3
-P-0000 P screening : treating k-point 757 and spin 1 by node 3
-P-0000 P screening : treating k-point 758 and spin 1 by node 3
-P-0000 P screening : treating k-point 759 and spin 1 by node 3
-P-0000 P screening : treating k-point 760 and spin 1 by node 3
-P-0000 P screening : treating k-point 761 and spin 1 by node 3
-P-0000 P screening : treating k-point 762 and spin 1 by node 3
-P-0000 P screening : treating k-point 763 and spin 1 by node 3
-P-0000 P screening : treating k-point 764 and spin 1 by node 3
-P-0000 P screening : treating k-point 765 and spin 1 by node 3
-P-0000 P screening : treating k-point 766 and spin 1 by node 3
-P-0000 P screening : treating k-point 767 and spin 1 by node 3
-P-0000 P screening : treating k-point 768 and spin 1 by node 3
-P-0000 P screening : treating k-point 769 and spin 1 by node 3
-P-0000 P screening : treating k-point 770 and spin 1 by node 3
-P-0000 P screening : treating k-point 771 and spin 1 by node 3
-P-0000 P screening : treating k-point 772 and spin 1 by node 3
-P-0000 P screening : treating k-point 773 and spin 1 by node 3
-P-0000 P screening : treating k-point 774 and spin 1 by node 3
-P-0000 P screening : treating k-point 775 and spin 1 by node 3
-P-0000 P screening : treating k-point 776 and spin 1 by node 3
-P-0000 P screening : treating k-point 777 and spin 1 by node 3
-P-0000 P screening : treating k-point 778 and spin 1 by node 3
-P-0000 P screening : treating k-point 779 and spin 1 by node 3
-P-0000 P screening : treating k-point 780 and spin 1 by node 3
-P-0000 P screening : treating k-point 781 and spin 1 by node 3
-P-0000 P screening : treating k-point 782 and spin 1 by node 3
-P-0000 P screening : treating k-point 783 and spin 1 by node 3
-P-0000 P screening : treating k-point 784 and spin 1 by node 3
-P-0000 P screening : treating k-point 785 and spin 1 by node 3
-P-0000 P screening : treating k-point 786 and spin 1 by node 3
-P-0000 P screening : treating k-point 787 and spin 1 by node 3
-P-0000 P screening : treating k-point 788 and spin 1 by node 3
-P-0000 P screening : treating k-point 789 and spin 1 by node 3
-P-0000 P screening : treating k-point 790 and spin 1 by node 3
-P-0000 P screening : treating k-point 791 and spin 1 by node 3
-P-0000 P screening : treating k-point 792 and spin 1 by node 3
-P-0000 P screening : treating k-point 793 and spin 1 by node 3
-P-0000 P screening : treating k-point 794 and spin 1 by node 3
-P-0000 P screening : treating k-point 795 and spin 1 by node 3
-P-0000 P screening : treating k-point 796 and spin 1 by node 3
-P-0000 P screening : treating k-point 797 and spin 1 by node 3
-P-0000 P screening : treating k-point 798 and spin 1 by node 3
-P-0000 P screening : treating k-point 799 and spin 1 by node 3
-P-0000 P screening : treating k-point 800 and spin 1 by node 3
-P-0000 P screening : treating k-point 801 and spin 1 by node 3
-P-0000 P screening : treating k-point 802 and spin 1 by node 3
-P-0000 P screening : treating k-point 803 and spin 1 by node 3
-P-0000 P screening : treating k-point 804 and spin 1 by node 3
-P-0000 P screening : treating k-point 805 and spin 1 by node 3
-P-0000 P screening : treating k-point 806 and spin 1 by node 3
-P-0000 P screening : treating k-point 807 and spin 1 by node 3
-P-0000 P screening : treating k-point 808 and spin 1 by node 3
-P-0000 P screening : treating k-point 809 and spin 1 by node 3
-P-0000 P screening : treating k-point 810 and spin 1 by node 3
-P-0000 P screening : treating k-point 811 and spin 1 by node 3
-P-0000 P screening : treating k-point 812 and spin 1 by node 3
-P-0000 P screening : treating k-point 813 and spin 1 by node 3
-P-0000 P screening : treating k-point 814 and spin 1 by node 3
-P-0000 P screening : treating k-point 815 and spin 1 by node 3
-P-0000 P screening : treating k-point 816 and spin 1 by node 3
-P-0000 P screening : treating k-point 817 and spin 1 by node 3
-P-0000 P screening : treating k-point 818 and spin 1 by node 3
-P-0000 P screening : treating k-point 819 and spin 1 by node 3
-P-0000 P screening : treating k-point 820 and spin 1 by node 3
-P-0000 P screening : treating k-point 821 and spin 1 by node 3
-P-0000 P screening : treating k-point 822 and spin 1 by node 3
-P-0000 P screening : treating k-point 823 and spin 1 by node 3
-P-0000 P screening : treating k-point 824 and spin 1 by node 3
-P-0000 P screening : treating k-point 825 and spin 1 by node 3
-P-0000 P screening : treating k-point 826 and spin 1 by node 3
-P-0000 P screening : treating k-point 827 and spin 1 by node 3
-P-0000 P screening : treating k-point 828 and spin 1 by node 3
-P-0000 P screening : treating k-point 829 and spin 1 by node 3
-P-0000 P screening : treating k-point 830 and spin 1 by node 3
-P-0000 P screening : treating k-point 831 and spin 1 by node 3
-P-0000 P screening : treating k-point 832 and spin 1 by node 3
-P-0000 P screening : treating k-point 833 and spin 1 by node 3
-P-0000 P screening : treating k-point 834 and spin 1 by node 3
-P-0000 P screening : treating k-point 835 and spin 1 by node 3
-P-0000 P screening : treating k-point 836 and spin 1 by node 3
-P-0000 P screening : treating k-point 837 and spin 1 by node 3
-P-0000 P screening : treating k-point 838 and spin 1 by node 3
-P-0000 P screening : treating k-point 839 and spin 1 by node 3
-P-0000 P screening : treating k-point 840 and spin 1 by node 3
-P-0000 P screening : treating k-point 841 and spin 1 by node 3
-P-0000 P screening : treating k-point 842 and spin 1 by node 3
-P-0000 P screening : treating k-point 843 and spin 1 by node 3
-P-0000 P screening : treating k-point 844 and spin 1 by node 3
-P-0000 P screening : treating k-point 845 and spin 1 by node 3
-P-0000 P screening : treating k-point 846 and spin 1 by node 3
-P-0000 P screening : treating k-point 847 and spin 1 by node 3
-P-0000 P screening : treating k-point 848 and spin 1 by node 3
-P-0000 P screening : treating k-point 849 and spin 1 by node 3
-P-0000 P screening : treating k-point 850 and spin 1 by node 3
-P-0000 P screening : treating k-point 851 and spin 1 by node 3
-P-0000 P screening : treating k-point 852 and spin 1 by node 3
-P-0000 P screening : treating k-point 853 and spin 1 by node 3
-P-0000 P screening : treating k-point 854 and spin 1 by node 3
-P-0000 P screening : treating k-point 855 and spin 1 by node 3
-P-0000 P screening : treating k-point 856 and spin 1 by node 3
-P-0000 P screening : treating k-point 857 and spin 1 by node 3
-P-0000 P screening : treating k-point 858 and spin 1 by node 3
-P-0000 P screening : treating k-point 859 and spin 1 by node 3
-P-0000 P screening : treating k-point 860 and spin 1 by node 3
-P-0000 P screening : treating k-point 861 and spin 1 by node 3
-P-0000 P screening : treating k-point 862 and spin 1 by node 3
-P-0000 P screening : treating k-point 863 and spin 1 by node 3
-P-0000 P screening : treating k-point 864 and spin 1 by node 3
-P-0000 P screening : treating k-point 865 and spin 1 by node 3
cchi0 : enter
use symmetries = 0
use time reversal = F
spectral method = 0
calculating chi0(q,omega,G,G")
cchi0 : reading wavefunctions from file
trying to allocate wavefunctions in real space
allocated
cchi0 : real space wavefunctions are now in memory
calculation status ( 865 to be completed) :
cchi0 : ik = 1 / 865 is = 1 done by processor 0
cchi0 : ik = 2 / 865 is = 1 done by processor 0
cchi0 : ERROR -
kp=k-q-G0 not found
ik = 3 k = 0.166667 0.166667 0.083333
k-q = 0.250000 0.333333 0.083333
-P-0000
-P-0000 leave_new : decision taken to exit ...
------------------------------------------------------------------------------------------------------
- [abinit-forum] Need helps on GW calculation: A crash within screening main loop, Thanusit Burinprakhon, 05/13/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, Matteo Giantomassi, 05/13/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, ธนูสิทธิ์ บุรินทร์ประโคน, 05/14/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, Matteo Giantomassi, 05/14/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within, ธนูสิทธิ์ บุรินทร์ประโคน, 05/20/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, Matteo Giantomassi, 05/14/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, ธนูสิทธิ์ บุรินทร์ประโคน, 05/14/2008
- Re: [abinit-forum] Need helps on GW calculation: A crash within screening main loop, Matteo Giantomassi, 05/13/2008
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