FERWE

From VASP Wiki
Revision as of 02:28, 26 May 2011 by Mmars (talk | contribs)
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

FERWE = [real array] 

Description: FERWE sets the occupancies of the states for ISMEAR=-2.


To set the occupancies, specify

 FERWE = 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.

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.

Related Tags and Sections

FERDO, ISMEAR


Contents