[Wien] How to plot spin-polarized band structure with spin-orbital coupling?

[Peter Blaha]

How should spaghetti know that you want to include so ??

x spaghetti -h    lists all options for spaghetti;

x spaghetti -so -up/dn will do the job.

Am 05.08.2010 21:57, schrieb yhzhao:
> Dear Prof. Blaha,
>
> Can you tell me how to plot the spin-polarized band structure with
> spin-orbital coupling of bcc Fe?
> I have done as follows, but I failed to get the band with SOC.
>
> runsp_lapw -cc 0.00001
> initso_lapw
> runsp_lapw -so -cc 0.00001
> x lapw1 -band -up
> x lapw1 -band -dn
> x lapwso -c -band -up
> x spaghetti -up
> x spaghetti -dn
>
>
> As above steps, it looks like I have not including the SOC effect. Can
> you help me?
>
> Regards,
>
> Yonghong
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria