[Pw_forum] electron-phonon coefficients

C.H. Hu chaohao.mse at gmail.com
Mon Jan 12 02:06:29 CET 2009


Dear Prof. Eyvaz Isaev,

Can you also send me this revised file? It is helpful to me since I am
also investigating the electron-phonon interaction in a hydride system
using PWSCF. Thanks in advance for your help.

With my best regards,

C.H.

On Sun, Jan 11, 2009 at 11:27 PM, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
> 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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>
>
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