[Wien] K point changed with Spin-orbital coupling.

[yanming Ma]

Dear Peter and stefaan,
 
Thanks for your comments.
 
Best Wishes!
 
Yanming Ma

Peter Blaha <pblaha at zeus.theochem.tuwien.ac.at> wrote:
> >This is known (and I hope stated somewhere in UG). The interstital DOS in SO
> >calculations is NOT the interstital DOS.
>
> I check through the whole mannul, I Can not find the concerning statement. As I know, for spin-polarized SO, the interstitial DOS is not the interstitial DOS. But for SO, without the spin-polarized case, there is no clear statement on what is the interstital DOS.

Maybe.

Anyway, I've never plotted an "interstital DOS" myself !!!
I would not know for what purpose.

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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Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

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