Page 1 of 1
" matrix is singular" in 2D materials using EPW
Posted: Tue Oct 12, 2021 2:49 pm
by guodonglin
Dear all.
i calculate the transport property of 2D material, but i encounter the problem " Error in routine inv_mat (1): matrix is singular " using epw.
how to deal with it? thanks.
Re: " matrix is singular" in 2D materials using EPW
Posted: Tue Oct 12, 2021 6:59 pm
by hlee
Dear guodonglin:
Could you show me the full outputs of nscf.out and epw.out with the inputs of nscf.in and epw.in?
Sincerely,
H. Lee
Re: " matrix is singular" in 2D materials using EPW
Posted: Wed Oct 13, 2021 10:08 am
by guodonglin
The attachment contains input and output of scf, nscf and epw,thanks.
Re: " matrix is singular" in 2D materials using EPW
Posted: Wed Oct 13, 2021 5:32 pm
by hlee
Dear guodonglin:
You are using the old version of EPW v.4.0.0 and it is difficult for me to keep track of the origin of your issue.
Could you try to use the recent version of EPW (v5.4) and confirm that you still encounter the issue?
Sincerely,
H. Lee