Dear developers,
Is there a way to use yambopy to obtain the exciton momentum grid that yambo use for the finite-Q momentum BSE calculation? That would be very helpful.
Sincerely,
Exciton momentum grid
Moderators: palful, amolina, mbonacci
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kle2797
- Posts: 16
- Joined: Mon Jul 12, 2021 3:21 pm
Exciton momentum grid
Khoa Le
PhD Candidate
California Institute of Technology
PhD Candidate
California Institute of Technology
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Daniele Varsano
- Posts: 4010
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Exciton momentum grid
Dear Dear Khoa Le,
can you be more explicit on what you need exactly?
The momentum q grid used for the finite-q BSE is the same use for q=0 calculation and it is reported in the report file.
The Q momentum for the BSE is chosen by setting it in the input file (% BSEQptR namelist).
Best,
Daniele
can you be more explicit on what you need exactly?
The momentum q grid used for the finite-q BSE is the same use for q=0 calculation and it is reported in the report file.
The Q momentum for the BSE is chosen by setting it in the input file (% BSEQptR namelist).
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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kle2797
- Posts: 16
- Joined: Mon Jul 12, 2021 3:21 pm
Re: Exciton momentum grid
Ah, thank you. I have found the list in the report files and can get it now. That was all I need.
Best,
Best,
Khoa Le
PhD Candidate
California Institute of Technology
PhD Candidate
California Institute of Technology