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Noncollinear magnetism & RPA

Posted: Thu Jun 24, 2021 12:02 pm
by rolando_saniz1
Dear VASP team,

Is it possible to run RPA total energy calculations in combination with LNONCOLLINEAR = .TRUE. ? Also, is geometry optimization possible with these settings?

Thanks for your time!
Rolando

Re: Noncollinear magnetism & RPA

Posted: Mon Jun 28, 2021 12:21 pm
by martin.schlipf
That depends the older implementation ALGO=RPA should be compatible with noncollinear calculations. The newer and faster ALGO=RPAR is not ported, yet.

Re: Noncollinear magnetism & RPA

Posted: Mon Jun 28, 2021 4:02 pm
by rolando_saniz1
OK, thanks! I will give it a try.

Best regards,
Rolando