[Pw_forum] Error in running pdos calculations
Ubaid Mohd
onlymubaid at gmail.com
Wed Nov 29 15:53:48 CET 2017
Dear Saif
Thanks for your reply. I sorted out my problem.It was due to some processor
issue.
On 29-Nov-2017 8:19 PM, "Saif Ullah" <kiterunner7 at gmail.com> wrote:
> 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*
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
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