Deformation potential

General discussion around the EPW software

Moderator: stiwari

Post Reply
mmkhatami
Posts: 3
Joined: Fri Apr 27, 2018 8:31 pm
Affiliation:

Deformation potential

Post by mmkhatami »

Dear all,

I need deformation potential values for every phonon branch in high symmetry points. I was wondering if there is any possible way to calculate it.
I have seen in the Phonon user guide that the ph.x can calculate it but I couldn't find them in output files. Also in "Elec-?ph. and ph.-?ph. coupling in semiconductors and bismuth, theoretical approaches" the document of QE developers meeting 2016, the CALC_ISDP option in the subroutine calc_isdp.f90 can derive them too which I couldn't find the subroutine and I think it has not been implemented in QE yet and I was wondering if there is any test version of it.

Yours,
Mohammad Mahdi Khatami
Tarbiat Modares University

sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Deformation potential

Post by sponce »

Dear Mohammad,

It is not natively implemented in EPW.
Probably the best for you is to ask on the QE mailing list.

Best wishes,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

Post Reply