[Pw_forum] a2Fq2r files - electron-phonon coupling

[Mohsen Modaresi]

Dear Prof. Giannozzi,

We had also the same question and find the "elphon.f90" which was good. But
i phonon.f90 only call the elphon.f90 in the case of "simple" and not the
"interpolated" case.
Also, we want to modify the elphon.f90 to get the e-ph coefficient for
different bands, but we get many errors due to the "call mp_sum" lines and
other problems.
If some body modified the elphon.f90 to save matrix elements, please share
it with us.

Best,


On Fri, Mar 14, 2014 at 8:53 PM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> On Fri, 2014-03-14 at 15:54 +0530, Sridhar Sadasivam wrote:
>
> > My problem is this: how to extract the raw electron-phonon matrix
> > elements from Quantum Espresso? I understand how to obtain related
> > quantities such as phonon line widths and Eliashberg function. But I
> > would like to obtain the raw matrix elements. Is this possible and has
> > anyone done it before?
>
> the same question has been asked more than once in the past. The
> answer is also the same: one has to go into PH/src/elphon.f90,
> extract what needed from there. Currently matrix elements are
> not saved, if I remember correctly
>
> Paolo
>
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Mohsen Modarresi,
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-9133452131
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140314/70c7dbb7/attachment.html>