[Pw_forum] Spin magnetization

Andrey Chibisov andreichibisov at yandex.ru
Tue Nov 14 16:27:36 CET 2017


I want to investigate the behavior of the phosphorus spin. I know that three methods implemented in Espresso:
1. Spin-polarized calculations (nspin = 2)
2. noncollinear calculations (noncolin)
3. Spin-orbit calculations (lspinorb)
In the first case, the electron spin is described.
Dear colleagues, tell me which spin is described in cases 2 and 3, electron or nuclei?

-- 
Best regards,
Andrey Chibisov. Ph.D.
Senior Researcher,
Numerical method of mathematical physics Laboratory,
Computational Center, Russian Academy of Sciences.
Khabarovsk, Russia
Web page: https://www.researchgate.net/profile/A_Chibisov
http://ru.linkedin.com/pub/andrey-chibisov/55/253/986/en



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