[Wien] spin-obital coupling (LSDA+SO)

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Thu Jul 12 17:50:57 CEST 2007


>I wonder that which elativistic Local Orbitals' (RLO) should be select ? 
>which difference are there for the calculated result?
>
>  
>
See this paper:

Electronic structure of fcc Th - spin orbit calculations with 6p1/2
local orbital extension
J.Kunes, P.Novak, R.Schmid, P.Blaha and K.Schwarz, Phys.Rev. B 64,
153102 (2001)

Stefaan

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