Dear developers,
Is it possible to read the electron-hole exchange matrix elements after BSE calculations?
Looking forward to your response.
Best wishes
Dan Wang
Electron-hole exchange matrix elements
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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Danslie
- Posts: 9
- Joined: Mon Sep 23, 2019 3:20 am
Electron-hole exchange matrix elements
Dan Wang
PhD
Department of Physics
Tsinghua University
Beijing 100084
China
PhD
Department of Physics
Tsinghua University
Beijing 100084
China
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Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Electron-hole exchange matrix elements
Dear Dan,
you can perform a calculation including electron-hole exchange term only in the kernel and then read the matrix elements using the yambopy (see viewtopic.php?p=12305#p12305).
Best,
Daniele
you can perform a calculation including electron-hole exchange term only in the kernel and then read the matrix elements using the yambopy (see viewtopic.php?p=12305#p12305).
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/
-
Danslie
- Posts: 9
- Joined: Mon Sep 23, 2019 3:20 am
Re: Electron-hole exchange matrix elements
Dear Daniele,Daniele Varsano wrote: ↑Thu Jan 09, 2025 8:34 am Dear Dan,
you can perform a calculation including electron-hole exchange term only in the kernel and then read the matrix elements using the yambopy (see viewtopic.php?p=12305#p12305).
Best,
Daniele
Thank you very much!
I'm going to try your suggestion.
Dan Wang
PhD
Department of Physics
Tsinghua University
Beijing 100084
China
PhD
Department of Physics
Tsinghua University
Beijing 100084
China