[Pw_forum] Error in running pdos calculations
Ubaid Mohd
onlymubaid at gmail.com
Wed Nov 29 06:48:06 CET 2017
Dear QE users:
A davcio error came up when I was doing Lowdin analysis using projwfc.x. I
first carried out a scf calculation followed by nscf with a extended k-mesh
and everything went smoothly. But when it comes to pdos calculation, the
program crashed and kept saying the following error message:
Calling projwave ....
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from davcio : error # 10
error while reading from file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
There was no problem when I was running
example08 (the pdos example come with the PWscf package), so probably there
are some problems caused by my own system.
Regards
*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*
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