[Wien] Problem when calculating Bandstructure with LDA+U and SOC

[georg at chem.au.dk]

> I then try to calculate the band structure with the following:
> using w2web to create the file case.klist_band, then
>  
> x lapw1 -c -band -up -orb 
> this runs without error messages and generates among others the file
> case.energyup. 
>  
> When I try to run 
> x lapwso -c -up -orb  
Spin orbit usus both up and down eigenvalues, so you'll need to run lapw1 -dn as
well 


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