FERWE: Difference between revisions
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Revision as of 16:56, 25 May 2011
FERWE = [real array]
Description: FERWE sets the occupancies of the states for ISMEAR=-2.
In case of spin-polarized calculations (ISPIN=2), FERWE sets the occupancies of the states in the up-spin channel. The occupancies of the states in the down-spin channel must be specified by means of the FERDO-tag.