You need spin-orbit coupling, but for a bonmagnetic compound you do NOT need spin-polarization.
Am 21.05.2010 02:50, schrieb Harvey: > Dear WIEN2k users, > > I am running a calculation about Bismuth surface state using a slab geometry. > But I am a bit confused about the "spin polariztion" and "spin orbit > coupling" concepts. > > If I want to obtain the rashba type surface state, do I need to setup > spin polariztion calculation as well as the spin orbit coupling? > > Thanks! > > Harvey > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materialchemie, TU Wien Getreidemarkt 9 A-1060 Vienna Austria
