[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110324/f10f7d79/attachment.html>
More information about the users
mailing list