[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
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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