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- Wed May 06, 2020 4:20 pm
- Forum: General discussion
- Topic: Electron-Phonon Matrix Elements in Real Space g(R_e, R_p)
- Replies: 0
- Views: 6183
Electron-Phonon Matrix Elements in Real Space g(R_e, R_p)
Dear Forum Moderators, I am currently trying to compute the electron phonon matrix elements in real space for 2D MoS2. What I did was to change the subroutine bloch2wan.f90 to make it print out the matrix elements for each R_e, R_p, band index and mode. In my scf and nscf calculation, I have used th...