[Pw_forum] time for calculation of el-ph interactions of graphene supercell

L.F.Huang lfhuang at theory.issp.ac.cn
Tue Sep 9 03:44:10 CEST 2008


Dear Paulatto:
  I am sorry that I could not get exactly what you mean when you mentioned
"if you do your scf calculation using the wf_collect=.true. option you can
(usually) post-process the data with a different parallel configuration".
Does "wf_collect=.true." is related with the calculation of EPC ? I have
read throug some documents for inputs, but can not find that relation.
Could you please teach how to use "wf_collect=.true." in the calculations
of el-ph interaction? Or could please you tell me some examples?
  Additionally, the calculation of el-ph interaction in my case finally
complete in this morning, 5 days elapsed.

Thank you very much Paulatto! Also Thank you for your lecture given in
Shanghai China this July!
Best Wishes!
Yours Sincerely
L.F.Huang

> Date: Mon, 08 Sep 2008 14:41:56 +0200
> From: Lorenzo Paulatto <paulatto at sissa.it>
> Subject: Re: [Pw_forum] time for calculation of el-ph interactions of
> 	graphene supercell
> To: PWSCF Forum <pw_forum at pwscf.org>
> Message-ID: <48C51D94.5030107 at sissa.it>
> Content-Type: text/plain; charset=ISO-8859-15; format=flowed
>
> Dear Huang,
> I don't know if el-ph coupling supports k-points parallelizations; but
> if you do your scf calculation using the wf_collect=.true. option you
> can (usually) post-process the data with a different parallel
> configuration.
>
> regards
>
> --
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www:   http://people.sissa.it/~paulatto/





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