[Pw_forum] default for 'occupations'

Eyvaz Isaev eyvaz_isaev at yahoo.com
Mon Nov 14 12:58:51 CET 2005


Hi,

If there is no definition for occupations, thus, your
system is considered as a semiconductor or insulator
with nbnd=nelec/2 (see output file) and occupations 1
or 0 for occupied (valence) and unoccupied
(conductivity) bands.

Bests,
Eyvaz.

--- Alberto Milani <alberto.milani at chem.polimi.it>
wrote:

> Hi,
> what is the default for 'occupations' if I don't
> explicitly define it?
> Thanks in advance
> A.M:
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> http://www.democritos.it/mailman/listinfo/pw_forum
> 



		
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