[Pw_forum] computing electron phonon coefficients

[Elie Moujaes]

One more question regarding the electron-phonon implementation in QE. Is it possible to plot the band structure and the DOS including the electron phonon interaction in the calculations? 
 
Regards
 
Elie Moujaes
University of Nottingham
NOttingham
NG7 2RD
UK
 
> From: giannozz at democritos.it
> Date: Thu, 3 Feb 2011 07:38:58 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] computing electron phonon coefficients
> 
> 
> On Feb 2, 2011, at 19:40 , Elie Moujaes wrote:
> 
> > I am trying to compute the electron phonon coefficients for 
> > monolayer graphene (using the options elph=.true. and trans=.true.) 
> > in the ph.in file. I am using Espresso-4.2. The ph.x executable is 
> > stopping after some time with the message:
> >
> > At line 378 of file elphon.f90 (Unit 40 "/tmp/results-MOUJAES/ 
> > elphomonograph.a2Fsave")
> > Traceback is not availabe, compile with -ftrace=frame or -ftrace=full
> > Fortran runtime error : End of file
> 
> before running the electron-phonon calculation, you have to run a non- 
> scf calculation
> with an option (la2f or something like this) that produces the 
> required file (the one
> that is missing here)
> 
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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