[Pw_forum] electron-phonon coefficients

Eyvaz Isaev eyvaz_isaev at yahoo.com
Sun Jan 11 00:46:36 CET 2009


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


--- On Thu, 1/8/09, penghua <penghua8503 at 163.com> wrote:

> From: penghua <penghua8503 at 163.com>
> Subject: [Pw_forum] electron-phonon coefficients
> To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
> Date: Thursday, January 8, 2009, 4:32 PM
> Dear all,
> 
> When I use lambda.x to calculate electron-phonon
> coefficients in example07, the value of g and wk should be
> given.
> 
> q, wk         : q-points and weights
> 
> But, how can I get the two values, using kpoints.x or
> finding them in some files, like q2r.out, which have got?
> 
> When I running the lambda.x in the example07, I got the
> fowling information
> 
> forrtl: severe (29): file not found, unit 4, file
> /espresso-3.2.3/examples/example07/results/fort.4
> 
>  
> 
> Thanks in advance.
> 
> Hua Peng
> 
> -------------------------------------------------------------------
> 
> Hua Peng   Penghua8503 at 163.com
> 
> ShandongUniversity, 
> 
> Jinan, Shandong Province, China, 250100
> 
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