FERDO: Difference between revisions
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The occupancies of the states in the spin-up channel must be specified by means of the {{TAG|FERWE}}-tag. | The occupancies of the states in the spin-up channel must be specified by means of the {{TAG|FERWE}}-tag. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|FERWE}}, | ||
{{TAG|ISMEAR}} | {{TAG|ISMEAR}} | ||
---- | ---- | ||
Revision as of 17:22, 25 May 2011
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.
The occupancies of the states in the spin-up channel must be specified by means of the FERWE-tag.