[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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