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}}&times;N<sub>'''k'''</sub>)
   {{TAG|FERDO}} = f(1) f(2) f(3) ... f({{TAG|NBANDS}}&times;N<sub>'''k'''</sub>)
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 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 {{TAG|FERWE}}-tag.
Specify the occupancies of the states in the spin-up channel by means of the {{TAG|FERWE}} tag.
== Related Tags and Sections ==
== 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 Minimization]][[Category:Density of States]][[Category:Electronic Minimization Methods]]
[[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.

Related tags and articles

FERWE, ISMEAR

Examples that use this tag


Contents