[Wien] Spin-orbital interaction

Lyudmila Dobysheva lyu at otf.fti.udmurtia.su
Fri Jul 18 16:56:24 CEST 2003


On Thu, 17 Jul 2003, yanming Ma wrote:

> Then to calculate the bandstructure, I run 
> "x lapw1 -so -band"
> "x lapw2 -so -band -qtl"
> "x spaghetti -so"
>  
> But the calculated bandstructure is wrong. 

Just a quick guess: don't you need in your case a complex version of lapw1
and lapw2?
"x lapw1c -so -band"
"x lapw2c -so -band -qtl"
"x spaghetti -so

Best regards
  Lyudmila Dobysheva 
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