[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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