[Pw_forum] spin-orbit coupling

Julen Ibanez Azpiroz julen.azpiroz at gmail.com
Thu Mar 24 15:54:15 CET 2011


Dear Peiman,

As far as I know, in QE the spin-orbit coupling is taken into account by
fully relativistic pseudopotentials, so you have to build this kind of PP
for your atoms. Once you have them, I think that the way to include the it
is to set lspinorb=.true. and also noncolin=.true.

Best regards

Julen Ibañez

University of the Basque Country, Condensed Matter Physics
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