[QE-users] Deformation potential derivation
mohammad mahdi khatami
mmkh68roozbeh at gmail.com
Fri May 4 12:03:10 CEST 2018
I need deformation potential values for every phonon branch in high
symmetry points. I was wondering if there is any possible way to calculate
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.
Mohammad Mahdi Khatami
Tarbiat Modares University
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