[Wien] Spin-orbital interaction

[yanming Ma]

Dear Lyudmila Dobysheva 
 
Thanks very much for your answer. You are right. This is the case as you suggested.
 
Best Wishes!
 
Yanming


Lyudmila Dobysheva <lyu at otf.fti.udmurtia.su> wrote:
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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Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

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