[Wien] about SRA

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed May 5 08:20:49 CEST 2004


> Could you explain me what
>  Scalar Relativistic Approach (SRA) which they used in Wien2k is ?

It includes mass velocity and Darvin s-shift, but neglects spin-orbit
coupling. It's described in the Koelling Arbman 1977 reference of the UG.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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