[Pw_forum] a2Fq2r files - electron-phonon coupling
modaresi.mohsen at gmail.com
Fri Mar 14 19:43:23 CET 2014
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
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
If some body modified the elphon.f90 to save matrix elements, please share
it with us.
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 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
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
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