[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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