[Wien] Surface states splitting

[Peter Blaha]

I've never explicitly shown the spin-splitting.

What you can easily see is that when one adds SO, that the degenerate bands split.

I'm not sure, but I think with the present WIEN2k implementation you cannot easily
get this kind of spin-projection, since there is always some kind of symmetrization.

Eventually it works when you break inversion symmetry and do spin-polarized
calculations (putting M in the correct direction!?), but I'm not sure about
that.

In any case, the bandstructure and the SO splitting is perfectly ok with "normal"
calculations.

> In Your paper "PHYSICAL REVIEW B, VOLUME 65, 033407" in Fig. 1 
> you present two surface state dispersion curves for opposite spin 
> projections. I am trying to repeat this for the W(110) surface. May I 
> ask you to list the key points of your calculation? How is it possible 
> to recognize the spin projection for surface states?
> 
> Sincerely yours,
> 
>                         Oleg Artamonov.
> 
> 
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                                       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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