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Electron-hole exchange matrix elements
Posted: Thu Jan 09, 2025 3:21 am
by Danslie
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
Re: Electron-hole exchange matrix elements
Posted: Thu Jan 09, 2025 8:34 am
by Daniele Varsano
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
Re: Electron-hole exchange matrix elements
Posted: Thu Jan 09, 2025 11:57 am
by Danslie
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
Dear Daniele,
Thank you very much!
I'm going to try your suggestion.