[Wien] calculating DOS - EMAX reduced?
Michael Frotscher
frotscher at chemie.uni-hamburg.de
Thu Dec 4 11:36:58 CET 2003
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Hello, WIEN-ML
I'm trying to calculate the DOS of metallic copper - just as an example of the
DOS of a metallic conductor having no band gap directly above E-Fermi.
Everything runs fine, however when having a look at case.outputt I find:
BAND LIMITS OF BAND 9 ARE 0.28714 0.83855
EMAX reduced due to lower HIGHEST BAND-minimum
EMIN, DE, EMAX : 0.00000 0.00200 0.28714
E-Fermi is calculated to 0.452 Ry and is listed as such in case.outputt, but
the DOS-values are only calculated up to 0.28714 Ry.
How do I plot the region around E-Fermi?
Sincerely,
- --
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany
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