[Wien] A question about the plot of band structure considering the spin-orbit coupling!

[Peter Blaha]

I guess you forgot to include  "-band" in the calculations.

It looks as if in your case.outputso file there are still the data from the
scf k-mesh.

You need (for non-spinpolarized, non-complex case):

x lapw1 -band
x lapwso -band
(x lapw2 -qtl -band)
x spaghetti -so

shouxincui shouxincui schrieb:
> Dear Wien2k users,
> Considering the spin-orbit coupling, I wanted to plot the band structure 
> of my studied system. There is no mistake information in calculating. 
> However, the final results of band structure is  discontinuity  around 
> the high symmetry points of the Brillouin zone. I wanted to know the 
> reason to this problem and how to solve them. Thanks ahead!
> Best regards,
> Cui
> 
> 
> 
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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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