[gpaw-users] k point mesh and occupations

manana koberidze manana.ko at gmail.com
Fri Sep 20 12:24:32 CEST 2013


Dear all,

Is there any simple (could be done manually, of course) way in GPAW to
center the kpoints on Gamma, e.g. as for VASP(..., gamma=True)?

Another question I have is about occupations which are >1 with maximum
value of 2. Where does this come from and is the 'true' occupation just
these values divided by 2? or is there any way to convert them to the
physical occupation?


Thank you,
Manana
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