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How to speed up the BSE calculation when only adjusting the scissor value

Posted: Sun Oct 16, 2022 1:07 am
by lyzhao
Dear all,
I calculated the linear optical absortion based on the scissor correction.
Can I adjust the scissor value ONLY for the calculation of optical spectrum
and NOT for static dielectric response matrix (X) to avoid recalculating the X?

Best regards
Youzhao Lan

Re: How to speed up the BSE calculation when only adjusting the scissor value

Posted: Mon Oct 17, 2022 8:39 pm
by claudio
Dear Youzhao Lan

if you just want to a rigid shift, and open the gap,
it is equivalent to shift the optical spectra by hand.
Just shift it, without recalculate it, the result will be the same

instead if you want to apply a correction that depends on the bands, then you have to recalculate.

best
Claudio

Re: How to speed up the BSE calculation when only adjusting the scissor value

Posted: Tue Oct 18, 2022 1:13 am
by lyzhao
Dear Claudio,
Thanks for your help.

Best regards.
Youzhao Lan