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.
" matrix is singular" in 2D materials using EPW
Moderator: stiwari
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guodonglin
- Posts: 10
- Joined: Mon Mar 29, 2021 5:56 am
- Affiliation: CQU
Re: " matrix is singular" in 2D materials using EPW
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
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
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guodonglin
- Posts: 10
- Joined: Mon Mar 29, 2021 5:56 am
- Affiliation: CQU
Re: " matrix is singular" in 2D materials using EPW
The attachment contains input and output of scf, nscf and epw,thanks.
- Attachments
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- nscf and epw files.rar
- input and putput of scf, nscf and epw
- (56.9 KiB) Downloaded 444 times
Re: " matrix is singular" in 2D materials using EPW
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
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