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spin-orbit interaction

Posted: Thu Apr 29, 2021 9:08 am
by niloufar
Hello dear developers,
I have a question about considering the spin-orbit interaction in Yambo. As far as I got from wiki website, we just need to add it to our DFT calculation. Is is true? I mean, I did my scf and nscf calculation with this effect in QE. Now, do I need to add anything in my Yambo inputs? or that was enough?

Thanks alot,

Re: spin-orbit interaction

Posted: Thu Apr 29, 2021 10:48 am
by Daniele Varsano
Dear Niloufar,
yes, as you say, you need to do a spinorial calculation in QE (ie using relativistic pseudo potential, lspinorb, noncolin).
Next yambo will be aware of that and will perform GW and BSE calculation in spinorial form.

Best,
Daniele