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://pwscf.org/pipermail/pw_forum/attachments/20140314/70c7dbb7/attachment.html
