[gpaw-users] Default setups fail for some elements?
Tristan Maxson
tgmaxson at gmail.com
Tue Jul 15 03:09:43 CEST 2014
It seems the default setups fail for quite a few elements such as Pt and
Cu, and it seems the solution is to use the included non-default setup
with 6 less valence electrons. Can anyone explain why this is needed / the
cause so I can try to avoid this in the future? I looked over the
documentation and could not find anything over it.
Using gpaw/0.9-9726 if it matters, thank you.
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