[Pw_forum] Pw_forum Digest, Vol 45, Issue 41

bahaareh tavakoli nejad bahaartv at gmail.com
Sat Mar 19 22:49:14 CET 2011


please tell me if it is possible to convert UPF format from
Quantumespresso  to ABINIT format pseudopotentials?

On 3/19/11, pw_forum-request at pwscf.org <pw_forum-request at pwscf.org> wrote:
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>    1. problems with current_iq ? (sonu kumar)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Sat, 19 Mar 2011 11:23:03 +0530
> From: sonu kumar <1009ukumar at gmail.com>
> Subject: [Pw_forum] problems with current_iq ?
> To: pw_forum at pwscf.org
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> 	<AANLkTimNNAkK5-eRVmHxOA0YwkW+tQic58b-D3P19Fcb at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear all QE users,
>
> while recovering phonon calculations, i am getting following error:
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from read_partial_ph : error #         1
>      problems with current_iq
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Initially i used large q-grid, but later on  realized that it will  take
> more time ,so reduced
> the q-grid and accordingly changed the q points etc. in xml file.
>
> Any suggestions or hints will be very useful.
> Thank you in advance.
>
> With regards,
> sk
>
>
>
> --
> Sonu Kumar
>
> Phd Student
> Physics Department
> Indian Institute of Technology
> Delhi-110016, India
> web:-http://www.iitd.ac.in/
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