FERDO

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Revision as of 17:22, 25 May 2011 by Mmars (talk | contribs)

FERDO = [real array] 

Description: FERDO sets the occupancies of the states in the down-spin channel for ISMEAR=-2 and ISPIN=2.


To set the occupancies specify

 FERDO = f(1) f(2) f(3) ... f(NBANDS×Nk)

The occupancies must be specified for all bands and k-points. The band-index runs fastest. The occupancies must be between 0 and 1.

The occupancies of the states in the spin-up channel must be specified by means of the FERWE-tag.

Related Tags and Sections

FERDO, ISMEAR


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