[Pw_forum] Fw: isolated atom

[Lorenzo Paulatto]

In data 23 settembre 2009 alle ore 15:40:55, ali kazempour  
<kazempoor2000 at yahoo.com> ha scritto:
> But esspresso don't allow fixed occupation for spin-polarized

Dear Ali,
it does! You have to specify the occupations for spin up then, on a new  
line, for spin down.

that's all

cheers

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Lorenzo Paulatto
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