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 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum