[Pw_forum] default for 'occupations'

[Paolo Giannozzi]

On Monday 14 November 2005 12:58, Eyvaz Isaev wrote:

> If there is no definition for occupations, thus, your
> system is considered as a semiconductor or insulator
> with nbnd=nelec/2 (see output file)

this is what is referred to as 'fixed' occupations

> and occupations 1 or 0 for occupied (valence) and 
> unoccupied (conductivity) bands.

2 and 0, actually. Note however that 'fixed' occupations
in PWscf is not allowed for spin-polarised calculations

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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