[gpaw-users] PointCharges + pbc

[Michael Walter]

Hi Pekka,

2011/10/10 Pekka Koskinen <pekka.koskinen at iki.fi>

> Hi,
>
> Do point charges work for periodic systems?


I don't think so. They where intended for non-periodic calculations only.

Michael


> If so, then how? (Does pbc in PointCharges have any effect or are they
> coupled to pbc in Atoms-object? How about cell size in PointCharges?)
>
> Best,
> Pekka
>
> --------------------------------
> Pekka Koskinen
> NanoScience Center
> Department of physics
> University of Jyväskylä
> http://www.iki.fi/pekka.koskinen
> tel.+358 40 805 4089 (työ/work)
> tel.+358 40 356 4460 (koti/home)
>
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Michael Walter
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