[Pw_forum] electron-phonon coefficients
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Sun Jan 11 16:27:52 CET 2009
Well, I see. You need a revised elphon.90 to get these files. I will send you these files (including those for "artificial parallel" calculations) later, hopefully today.
Bests,
Eyvaz.
--- On Sun, 1/11/09, penghua <penghua8503 at 163.com> wrote:
> From: penghua <penghua8503 at 163.com>
> Subject: Re: [Pw_forum] electron-phonon coefficients
> To: eyvaz_isaev at yahoo.com, "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Sunday, January 11, 2009, 9:58 AM
> Dear Prof. Eyvaz Isaev
>
> Thank you for your replay. Since elph file is needed in the
> calculation of lambda, I rerunning ph.x, adding
> filelph='elphmatrx', I didn’t find any elph matrix
> file in directory. I don’t know the reason, how can I get
> the files?
>
> ------------------------------------------
>
> Hua Peng Penghua8503 at 163.com
>
> ShandongUniversity
>
> ,
>
> Jinan, Shandong Province, China, 250100
>
>
>
> 2009-01-11,"Eyvaz Isaev"
> <eyvaz_isaev at yahoo.com> :
> >Dear Penghua,
> >
> >> forrtl: severe (29): file not found, unit 4, file
> >> /espresso-3.2.3/examples/example07/results/fort.4
> >
> >lambda.x reads a file where you should list elph-files
> (with q-points before, and additional information in the
> first line). Most likely, it could not find these files, as
> they are in a different directory or they have names
> different those you specified.
> >
> >q-points and their weights you can find using kpoints.x
> and answering the questions it posts. A *.ph.out file
> (*.dyn0 as well) does not the weights, but it is a good idea
> to compare q-points you got by means of kpoints.x and that
> contained in *.dyn0 file.
> >
> >Bests,
> >Eyvaz.
> >-------------------------------------------------------------------
> >Prof. Eyvaz Isaev,
> >Theoretical Physics Department, Moscow State Institute
> of Steel & Alloys, Russia,
> >Department of Physics, Chemistry, and Biology (IFM),
> Linkoping University, Sweden
> >Condensed Matter Theory Group, Uppsala University,
> Sweden
> >Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se,
> eyvaz_isaev at yahoo.com
> >
> >
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