[Pw_forum] add or subtract electron

[Lorenzo Paulatto]

In data 05 agosto 2009 alle ore 11:26:49, ali kazempour
<kazempoor2000 at yahoo.com> ha scritto:So I have to switch
> But it is not possible in espresso to control
> the occupation of orbital by hand.

Is is possible, in the atomic code. It only solves spherical atoms,
though, so you have to think if it applies to your case.

regards


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Lorenzo Paulatto
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