FERDO: Difference between revisions
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To set the occupancies, specify | To set the occupancies, specify | ||
{{TAG|FERDO}} = f(1) f(2) f(3) ... f({{TAG|NBANDS}}×N<sub>'''k'''</sub>) | {{TAG|FERDO}} = f(1) f(2) f(3) ... f({{TAG|NBANDS}}×N<sub>'''k'''</sub>) | ||
The occupancies must be specified for all bands and k | 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 {{TAG|FERWE}} tag. | |||
== Related | == Related tags and articles == | ||
{{TAG|FERWE}}, | {{TAG|FERWE}}, | ||
{{TAG|ISMEAR}} | {{TAG|ISMEAR}} | ||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Electronic | [[Category:INCAR]][[Category:Electronic minimization]][[Category:Density of states]] | ||
Revision as of 11:02, 6 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.