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Dear all:

I try to repeat the GWA results of beta-SiC in PRB 78, 085125 (2008). I can 
get
the similar results for the system, which include only two atoms. But when I
try to run supercell with 64 atoms, I could not get KSS file. I find the
processes are static.  Is the file too large, and ifort could not write it? Or
maybe I make som mistakes.

Best,


Tieyu  

I compile abinit-5.6.0 with mpich-ifort.9.0, and run abinip with 8 processors.


my input file:
*******************************************
ndtset     3

# Dataset1: usual self-consistent ground-state calculation
# Definition of the k-point grid
kptopt1  1            # Option for the automatic generation of k points,
ngkpt1   8 8 1
nshiftk1 1
shiftk1  0. 0. 0.  # These shifts will be the same for all grids
# Definition of the SCF procedure
toldfe1  1.0d-6    # Will stop when this tolerance is achieved on total energy
prtden1  1         # Print out density

# Dataset2: calculation of kss file
# Definition of k-points
kptopt2  0              # K-points will be provided
nkpt2    1              # Take only 1 k-point:
kpt2     0.0  0.0  0.0  # the Gamma point
istwfk2  1              # Option needed for special k-points like Gamma
# Definition of the SCF procedure
iscf2    -2             # Non self-consistent calculation
getden2  1             # Read previous density file
tolwfr2  1.0d-16        # Still get it converged
nband2   280

# Definition of parameters for the calculation of the kss file
nbandkss2  480      # Number of bands in KSS file (the maximum possible)
wfoptalg2 4
nbdblock2 8
fft_opt_lob2 2
fftalg2 401

# Dataset3: Calculation of the screening (epsilon^-1 matrix)
optdriver3  3
getkss3     -1
nband3      480
ecutwfn3    3.6
ecuteps3    6.0
ppmfrq3    16.7 eV
gwpara3    2
.........