[Wien] [SPAM?] Plot band structure with SO

[georg at chem.au.dk]

You simply give x spaghetti a -so switch. 

You seem to have answered most of your questions yourself. The bands are mixed
and spin is not a good quantum number. 
One could in principle use the band-character plotting to show which states have
mainly up/dn character, but I'm not sure the standard scripts support this, so
you'd have to play a little around.

   Best wishes Georg

Quoting Niu Sampson <gemisampson at yahoo.com>:

> Dear all,
> As we know LAPWSO can mix the spin-up and spin-down states. Then if I
> calculate the band structure of Fe with so, how can I plot the band structure
> ?
> Should I get two structures with spin-up and spin-down respectively, or get
> one which mixed the two spins .
> Dose it mean that the spin is still a good quantum number if I get the
> spin-up and -down band structure respectively?
> 
> Thanks!
> 
> 		
> ---------------------------------
>  
>  What are the most popular cars? Find out at Yahoo! Autos 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885
http://www.chem.au.dk/~webuorg/gm.html