[Wien] SPIN POLARIZATION ENERGY
Peter Blaha
pblaha at theochem.tuwien.ac.at
Sun Jan 1 11:23:22 CET 2006
> I am a new user of the code and I would to know how obtain the spin polarization energy
most likely as the energy difference between a spin-polarized
(runsp_lapw)
and non-spinpolarized (runsp_c_lapw) calculation !
> and spin-orbit energy after runsp_lapw and runsp_lapw -so calculations.
of course again as energy difference between the two calculations.
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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