[Wien] SIC-LDA and/or calculate U

[georg at chem.au.dk]

Hi all

there have been some request about calculating U in APW. I have uploaded a paper
where we do this for magnetite. Furthermore it is done for NiO and and FeO and
Fe2O3 as tests:
http://xxx.lanl.gov/pdf/cond-mat/0412560
it should appear in EPL soon. 

The method should be described in there. I'll try and send a worked out example
for NiO when I get time.

 Best wishes 
   Georg

-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885