FERWE

From VASP Wiki
Revision as of 11:03, 6 April 2022 by Huebsch (talk | contribs)

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 the case of spin-polarized calculations (ISPIN=2), FERWE sets the occupancies of the states in the up-spin channel. Specify the occupancies of the states in the down-spin channel by means of the FERDO tag.

Related tags and articles

FERDO, ISMEAR

Examples that use this tag


Contents