[Pw_forum] Constrained occupation
Jie Jiang
jiejiangnc at gmail.com
Sat Nov 6 23:13:41 CET 2010
Dear Nicola
> you need to consider what "more k-points" means - if you do
> delta scf on a Bloch state you have a zero correction, as Stefano
> pointed out. You can do it on a Wannier function (a sum of Bloch states
> for all k-points), but then you do not have delta scf, and it's not
> very different from having it on, say, an atomic orbital.
>
>
I got your points.
Thanks,
Jie
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