FERDO: Difference between revisions
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{{sc|FERDO|Examples|Examples that use this tag}} | {{sc|FERDO|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Electronic minimization]][[Category:Density of states]] | [[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density of states]] | ||
Revision as of 14:19, 8 April 2022
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.
Specify the occupancies of the states in the spin-up channel by means of the FERWE tag.