[Pw_forum] occupations from input

[Paolo Giannozzi]

On Sep 16, 2009, at 8:14 , sreekar guddeti wrote:
>
> Suppose i have a single Mn atom in a GaAs supercell.
> The hole(spin dw) associated with  Mn sits in one of the
> Mn d states (...). I want to delocalize the hole by setting
> the d spindown occupations to ~zero.  is there a way to
> specify this

no

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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222