Search found 5 matches

by baiyunfei
Wed Dec 28, 2022 1:27 pm
Forum: General discussion
Topic: How to get the el-ph coupling matrix in complex number form?
Replies: 3
Views: 3530

Re: How to get the el-ph coupling matrix in complex number form?

I am quite interested in complex value of electron-phonon matrix in order to do exciton-phonon interactions.I have read your discussion about it. As far as I know, EPW use wannier interpoltation to interpolate dvscf and wavefunction on a finer mesh ,then use them to construct electron-phonon matrix....
by baiyunfei
Sat Dec 24, 2022 11:33 am
Forum: General discussion
Topic: How to get the el-ph coupling matrix in complex number form?
Replies: 3
Views: 3530

Re: How to get the el-ph coupling matrix in complex number form?

As far as I know, EPW use wannier interpoltation to interpolate dvscf and wavefunction on a finer mesh ,then use them to construct electron-phonon matrix. However wannier interplotation is known to bring some gauge problems. My question is : if I properly modify the ''print_gkk in printing.f90.'' ; ...
by baiyunfei
Thu Dec 22, 2022 7:50 am
Forum: General discussion
Topic: electron-phonon matrix
Replies: 0
Views: 6374

electron-phonon matrix

I want to calculate electron-phonon matrix using EPW in bloch basis, I have noticed using input 'prtgkk' EPW can print the absolute value of electron-phonon matrix. What should I do ,if I want a complex value of electron-phonon matrix? (Maybe some scripts need to be modified?) .I found print_gkk(iq)...
by baiyunfei
Thu Dec 22, 2022 3:18 am
Forum: General discussion
Topic: electron-phonon matrix
Replies: 0
Views: 6209

electron-phonon matrix

I want to calculate electron-phonon matrix using EPW in bloch basis, I have noticed using input 'prtgkk' EPW can print the absolute value of electron-phonon matrix. What should I do ,if I want a complex value of electron-phonon matrix? (Maybe some scripts need to be modified?) .I found print_gkk(iq)...
by baiyunfei
Thu Dec 22, 2022 3:14 am
Forum: General discussion
Topic: electron-phonon matrix
Replies: 0
Views: 6372

electron-phonon matrix

I want to calculate electron-phonon matrix using EPW in bloch basis, I have noticed using input 'prtgkk' EPW can print the absolute value of electron-phonon matrix. What should I do ,if I want a complex value of electron-phonon matrix? (Maybe some scripts need to be modified?) .I found print_gkk(iq)...