[gpaw-users] how to explicitly set occupation numbers

[Joel Varley]

Hi,
I saw that this question was asked before on the forums but never got
directly answered as far as I could tell. I imagine there a way to
manually set the electronic occupations, and could someone please give
an example of how to do this for a spin-polarized and non-spin
polarized system? Also once these values are set, does another keyword
need to be used to constrain the specified occupations (i.e.
fixmagmom=True or something similar), or does it automatically stay
with those occupations if they are initially specified?
Thanks,
Joel

-- 
Joel Varley

Department of Chemical Engineering
Stanford University
Stanford, CA 94305-5025

Keck 261
Ph. (650) 725-9176
e-mail: jvarley at stanford.edu