FERWE: Difference between revisions
No edit summary |
No edit summary |
||
| Line 16: | Line 16: | ||
[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Density of States]][[Category:Electronic Minimization Methods]] | [[Category:INCAR]][[Category:Electronic Minimization]][[Category:Density of States]][[Category:Electronic Minimization Methods]] | ||
Revision as of 11:02, 7 March 2019
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.