[Wien] Including split-positions into the struct-file?

Michael Frotscher frotscher at chemie.uni-hamburg.de
Thu Oct 9 10:36:55 CEST 2003


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Dear Dr. Blaha,

> No! In our methods either there is an atom or it is not. Some properties
> (a DOS) can be modelled by "CPA" methods, but this works only for
> "average" properties to some extend, not for local properties.

A pity, really. So I cannot use WIEN to calculate my structure. A DOS of my 
substance would, however, be helpful - is there a recommendation on what to 
use for CPA-calcultations?

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany 
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