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BSE exchange term

Posted: Mon Aug 29, 2022 5:29 pm
by Bruno
Hello,

In a BSE calculation, is setting BSENGexx = 0 the same as turning off the exchange part of electron-hole interaction? i.e V=0. Or is it necessary to do something else to do that. Thank you a lot.

Regards,

Re: BSE exchange term

Posted: Mon Aug 29, 2022 6:02 pm
by Daniele Varsano
Dear Bruno,

BSENGexx = 0 eV
will turn off the exchange interaction (ie triplet excitation).

I suggest you use "0 eV" instead of "0 RL", as yambo by default will close shells of Gvectors, it could include the G=0 vector.

Best,

Daniele

Re: BSE exchange term

Posted: Mon Aug 29, 2022 6:49 pm
by Bruno
Hello,

Thank you very much for the fast reply!

Regards,