Search found 2 matches

by physics.yang
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

Re: the interpolated phonon from EPW doesn't match DFPT resu

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
by physics.yang
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 ...