[Wien] More Bands

Robertson Burgess Robertson.Burgess at newcastle.edu.au
Mon Jun 18 23:55:48 CEST 2007


Dear Wien Users,
     I'm trying to model the optical properties of nanostructures of
metals, and as such I'm working with quite large supercells, often with
around 50 non-equivelant atoms. Unfortunately this means that I have a
very large number of bands, and the current restriction of 1000 bands
for lapw2 -fermi means I can not get a good range of bands to model
over, I often have to work with only around 1ev above and below the
Fermi level.
How do I allow WIEN to calculate for a larger number of energy bands?
Any help would be muchly appreciated.

Bob Burgess,
University of Newcastle


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