[QE-developers] fatal error reading xml file
vinsa kharisma
vinsabujel at gmail.com
Tue Feb 18 07:40:55 CET 2020
Dear developer of quantum espresso
I have done calculations with quantum espresso starting in version 5 and
there are no problems in calculating scf, nscf, bands, or dos. but when I
use version 6.4.1 there is an error like this:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from read_conf_from_file : error # 1
fatal error reading xml file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I think this is a bug and I try to use the latest version, which is version
6.5 and do the scf, kpoint, and bandstructure calculations, but when I
count nscf,
there is the same CRASH as version 6.4.1. I have tried asking my professor
who has also used quantum espresso for a long time, but he has never
experienced an error like this. how is the solution? Please help.
Thank you
Best Regards
vinsa
here I attach my input :
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