FERDO: Difference between revisions

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Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2.
Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2.
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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.
{{TAG|FERDO}} has the same format as {{TAG|FERWE}}, please consider the notes on that page when setting {{TAG|FERDO}}.


The occupancies of the states in the spin-up channel must be specified by means of the {{TAG|FERWE}}-tag.
== Related tags and articles ==
== Related Tags and Sections ==
{{TAG|FERWE}},
{{TAG|FERWE}},
{{TAG|ISMEAR}}
{{TAG|ISMEAR}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
{{sc|FERDO|Examples|Examples that use this tag}}
 
[[Category:INCAR tag]][[Category:Electronic occupancy]][[Category:Density of states]]

Latest revision as of 09:59, 24 February 2025

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. FERDO has the same format as FERWE, please consider the notes on that page when setting FERDO.

Related tags and articles

FERWE, ISMEAR

Examples that use this tag