[gpaw-users] PointCharges + pbc

Pekka Koskinen pekka.koskinen at iki.fi
Mon Oct 10 10:40:16 CEST 2011


Hi,

Do point charges work for periodic systems? 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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