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[torsten.schmidt@s1999.tu-chemnitz.de]

Dear Giuseppe,

Attached you find a simple *.in-file for bcc-Fe. It is similar to Cu and one
needs only to change the positions of the Cu atoms. Please pay attention to 
the
number of bands (nband). Take always nband greater as the suggested value and
compare first the DOS with the curves from textbooks. If there is a good
agreement then have a look at the band structure.
For a first impression what the parameters do you can change the values
"ngkpt","nband" and "ecut" extreemly and see what the effekt on the DOS is.

Hope that I could help,

greetings Torsten

__________________________________________________
  Torsten Schmidt
  Institute of Physics
  Technical University of Chemnitz
  09107 Chemnitz / Germany
  Phone: +49/(0) 371 531 3078
  Mail: torssc@physik.tu-chemnitz.de
__________________________________________________
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Attachment: fe-bcc.in
Description: Binary data