Requests for technical support from the VASP group should be posted in the VASP-forum.

FERDO

From Vaspwiki
Revision as of 17:21, 25 May 2011 by Mmars (talk | contribs) (Created page with '{{TAGDEF|FERDO|[real array]}} Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2. ---- To set the o…')
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigationJump to search

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.

In case of spin-polarized calculations (ISPIN=2), FERWE sets the occupancies of the states in the up-spin channel.

Related Tags and Sections

FERDO, ISMEAR


Contents