nafiserb at gmail.com
Mon Mar 10 07:46:33 CET 2008
my case is halfmetal, how should be i work?and how can i choose centers of
projections? for this state , number of filled bands in up and down states
isnot equal.my case is CrAs.in down state 4 bands have filled.then over of
energy gap i have some state that are unoccupied. but in the up state 10
bands have filled.
when i want to gain 10 wannier functions for up and down states,is for down
spin using disentanglement procedure,or for both of up-down states?for which
states i specify dis_froz_max?
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