[Pw_forum] computing electron phonon coefficients

[Elie Moujaes]

Dear Prof. Giannozzi,
 
Thanks very much for your reply.
 
Regards
 
Elie
 
> 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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