[gpaw-users] mixer

Vivien Petzold petzold at fysik.dtu.dk
Fri Jul 16 09:49:08 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?

Kind regards,
Vivien


More information about the gpaw-users mailing list