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Is it possible to calculate GW+BSE spectrum for magnetic system

Posted: Tue Dec 07, 2021 7:34 am
by Bramhachari Khamari
Dear Developers,
I would like to calculate GW+BSE optical spectrum for a magnetic system. I don't find any tutorials for spin polarized system. I would like to know what are the changes in command line (to calculate GW+BSE) to be taken care, when one goes from non-magnetic to magnetic structure. Any help will be highly appreciated.

Regards,

Re: Is it possible to calculate GW+BSE spectrum for magnetic system

Posted: Tue Dec 07, 2021 9:09 am
by Daniele Varsano
Dear Bramhachari,

you can perform calculations for both collinear and non collinear (spinors in presence of spin-orbit coupling) spin configuration.
You just need to do your ground state calculation accordingly and then yambo (p2y) will recognize the spin structure, next proceed as usual for GW and BSE calculations.

Best,
Daniele

Re: Is it possible to calculate GW+BSE spectrum for magnetic system

Posted: Tue Dec 07, 2021 11:32 am
by Bramhachari Khamari
Dear Sir,
Thanks a lot for the quick reply. I will do the calculation and communicate if I face any problem.



Regards,