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BSE vs IP onset alignment

Posted: Mon Aug 22, 2022 9:47 am
by Bruno
Hello,

Assuming that I run a BSE calculation, the eps output file will contain both the BSE curve(2nd and 3rd column) and IP curve(4th and 5th column). Are these two curves aligned by default regarding the band-to-band transition? Or in other words, is the IP plot already compensating the redshift coming from the BSE calculation. If not, what is the best way to align them within yambo?

Regards,

Re: BSE vs IP onset alignment

Posted: Mon Aug 29, 2022 8:37 am
by Daniele Varsano
Dear Bruno,

yes, both the BSE and IP are calculated using the same energies, ie the QP energies you provide in input either as read by the database or by scissor/stretching operator.

Best,

Daniele

Re: BSE vs IP onset alignment

Posted: Mon Aug 29, 2022 5:27 pm
by Bruno
Hello,

Thank you very much!

Regards,