Dear Dr. Samuel,
I tried 9x9x2 k/q grids. The interpolated phonon spectrum is the same as the one obtained with the 9x9x1 coarse k/q grids, dramatically different from the DFT one.
Best regards,
Yang Tong
Search found 2 matches
- Tue Jun 19, 2018 11:18 am
- Forum: General discussion
- Topic: the interpolated phonon from EPW doesn't match DFPT result
- Replies: 2
- Views: 4044
- Thu Jun 14, 2018 1:15 pm
- Forum: General discussion
- Topic: the interpolated phonon from EPW doesn't match DFPT result
- Replies: 2
- Views: 4044
the interpolated phonon from EPW doesn't match DFPT result
Hi, I want to study the electron-phonon coupling in MoS2. But I found that the interpolated phonon spectrum from EPW greatly differs from the DFPT spectrum ( https://nusu-my.sharepoint.com/:i:/g/personal/e0001020_u_nus_edu/EdGxph3uDyVFixgJhaIJGpMBRi-VFsypzlntB4PtlZ9MtA ). ph.x ...