[Wien] band structure

[Gerhard Fecher]

just to remind you,
the bandstructure is defined in momentum space and the atomic positions in real space,
there are questions that can not be answered.

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von b. abedi [abedi526 at gmail.com]
Gesendet: Mittwoch, 6. Mai 2009 07:15
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] band structure

Hello everyone,
My question is about the data in "case.bands.agr" and
"case.spaghetti_ene". In case of having, for instance, two type of
atoms in the unit cell how can we realize which band indices are for
which atom?
Two days ago I posted this question in another form, but no one replied.

I appreciate your help,
Bahram Abedi
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