Dear All
I am using GWW in espresso for 72-atom supercell to correct the state of
perfect bulk supercell, but in the midway of running the pw4gww calculation for
bulk supercell in wannier part it crashes and the error is :
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task # 2
from davcio : error # 99
error while reading from file
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task # 11
from davcio : error # 99
error while reading from file
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the input file for wannier part is :
&inputpw4gww
prefix='tio2-perfect'
outdir='/p5/batch/kazempou/'
lwannier=.true.,
cutoff_wpr_vc = 0.1d0
num_nbnd_first =300
num_nbndv=288
num_nbnds=300
l_truncated_coulomb=.false.
remainder=-1
restart_gww=-1
numw_prod=1
n_gauss=79
omega_gauss=20.d0
tau_gauss=10.d0
l_zero=.true.
l_wing=.true.
cprim_first=1
cprim_last=300
cutoff_products=0.01d0
l_polarization_analysis=.true.
cutoff_polarization=0.01d0
/
I would appreciate if anyone tell me what is the reason of error?
thanks a lot
Ali Kazempour
Physics Department, Isfahn University of Technology
