[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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>
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