[Pw_forum] GWW-WANNIER part
kazempoor at ph.iut.ac.ir
kazempoor at ph.iut.ac.ir
Sun Mar 21 15:33:09 CET 2010
Dear ALL
For running pw4gww on wannier input file I see the running is crashed in mideway.
the input file is in the following:
&inputpw4gww
prefix='tio2-perfect'
outdir='/p5/batch/kazempou/tmp'
lwannier=.true.,
cutoff_wpr_vc=0.02d0
cutoff_products=0.01d0
cutoff_polarization=0.01d0
num_nbnd_first =310
num_nbndv=288
num_nbnds=300
l_truncated_coulomb=.false.
remainder=-1
restart_gww=0
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
l_polarization_analysis=.true.
/
and in the end of output file I faced with this error:
------------------------------
call go_wannier
Transform to real wfcs
MATRIX BIG1
NRS 70 70 64
NRXS 70 70 65
Calculate grid
MATRIX BIG2
MATRIX IIW 1
MATRIX JJW 1
MATRIX JJW 2
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from davcio : error # 99
error while reading from file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
What is the reason ?
I read several time in the fourom that the davcio error is originate from some problem like : (disk is full ,or ....) but i checked several time my tmp directories and also the my voulum of the disk ,but everything is ok. I can not understand what can I do
Thanks a lot
Ali Kazempour
Physics Department, Isfahn University of Technology
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