FERDO: Difference between revisions
No edit summary |
No edit summary |
||
| (6 intermediate revisions by 3 users not shown) | |||
| Line 5: | Line 5: | ||
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. | ||
{{TAG|FERDO}} has the same format as {{TAG|FERWE}}, please consider the notes on that page when setting {{TAG|FERDO}}. | |||
== Related tags and articles == | |||
== Related | |||
{{TAG|FERWE}}, | {{TAG|FERWE}}, | ||
{{TAG|ISMEAR}} | {{TAG|ISMEAR}} | ||
{{sc|FERDO|Examples|Examples that use this tag}} | {{sc|FERDO|Examples|Examples that use this tag}} | ||
[[Category:INCAR]][[Category: | [[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.