[Pw_forum] Error in running pdos calculations

Saif Ullah kiterunner7 at gmail.com
Wed Nov 29 13:58:24 CET 2017


Dear Mohammad,

Would you like share your inputs...

The following link may be helpful.

http://www.democritos.it/pipermail/pw_forum/2009-August/013787.html

Regards
Saif
Department of Physics, UFJF, Brazil

On Wed, Nov 29, 2017 at 3:48 AM, Ubaid Mohd <onlymubaid at gmail.com> wrote:

> 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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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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