Search found 4 matches
- Wed Jan 16, 2019 11:26 am
- Forum: Electron-phonon
- Topic: electron-phonon matrix elements
- Replies: 6
- Views: 22520
Re: electron-phonon matrix elements
Dear Samual, Thank you for the reply! I tried to modify the output writing part of the program (subroutine elphsum2 of elphon.f90) and performed some calculations. I have tried different q-points q1 0.000000000000000 0.000000000000000 0.000000000000000 q2 0.000000000000000 0.000000000000000 0.119721...
- Fri Nov 23, 2018 11:35 pm
- Forum: Electron-phonon
- Topic: Phonon frequencies and irreducible representations
- Replies: 2
- Views: 18138
Re: Phonon frequencies and irreducible representations
Dear Samual,
Thank you very much for the quick reply!
Best regards,
Fairoja.
Thank you very much for the quick reply!
Best regards,
Fairoja.
- Wed Nov 21, 2018 8:56 am
- Forum: Electron-phonon
- Topic: electron-phonon matrix elements
- Replies: 6
- Views: 22520
electron-phonon matrix elements
Dear All, I am a participant of 'School on Electron-Phonon Physics from First Principles' held at the International Centre for Theoretical Physics in Trieste on 19-23 March 2018. It was a very good school and I had a great experience attending the School. On Tuesdays Hands-on section, we tried to co...
- Tue Nov 20, 2018 12:11 pm
- Forum: Electron-phonon
- Topic: Phonon frequencies and irreducible representations
- Replies: 2
- Views: 18138
Phonon frequencies and irreducible representations
Dear All, I am trying to compute the electron-phonon coupling matrix for an 8 atom cell using ph.x with k-grid of 12x12x6 and q-point 4x4x2. I am computing each of the 12 q-points separately. For the first q-point (gamma-point), the system has 16 irreps. From the output file one can get all the mode...