[gpaw-users] mixer

jensj at fysik.dtu.dk jensj at fysik.dtu.dk
Fri Jul 16 10:31:06 CEST 2010


> Dear all,
>
> I am using a funny functional, with which I am having problems to
> converge magnetic atoms / molecules. The calculations seem to be
> somewhat more successful, if I use Mixer instead of MixerSum. Is it
> legal to use Mixer for a magnetic calculation?

Yes, that's perfectly OK for atoms and molecules.

JJ

> Kind regards,
> Vivien
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