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

yhzhao yhzhao.mail at gmail.com
Thu Aug 5 21:57:49 CEST 2010


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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