KGAMMA: Difference between revisions
(Noun-phrase description; bold k; TAG|KGAMMA|.TRUE./.FALSE.; FILE|KPOINTS in NB; add body explaining both modes; group Related tags; HowTo sc; remove pre-category ----) |
(Remove redundant "Tags:" label — only one group in Related tags section) |
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{{TAGDEF|KGAMMA|[logical]|.TRUE.}} | {{TAGDEF|KGAMMA|[logical]|.TRUE.}} | ||
Description: Whether the automatically generated '''k'''-point mesh is centered at the <math>\Gamma</math> point. | Description: Whether the automatically generated '''k'''-point mesh is centered at the <math>\Gamma</math> point. | ||
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If {{TAG|KGAMMA|.TRUE.}} (default), the '''k'''-point mesh is centered at the <math>\Gamma</math> point, i.e., it always includes the <math>\Gamma</math> point. If {{TAG|KGAMMA|.FALSE.}}, the mesh is shifted away from the <math>\Gamma</math> point as in a Monkhorst-Pack grid. The number of '''k''' points on the mesh is controlled by {{TAG|KSPACING}}. | If {{TAG|KGAMMA|.TRUE.}} (default), the '''k'''-point mesh is centered at the <math>\Gamma</math> point, i.e., it always includes the <math>\Gamma</math> point. If {{TAG|KGAMMA|.FALSE.}}, the mesh is shifted away from the <math>\Gamma</math> point as in a Monkhorst-Pack grid. The number of '''k''' points on the mesh is controlled by {{TAG|KSPACING}} and {{TAG|KSPACING_OPT}}. | ||
{{NB|important|If a {{FILE|KPOINTS}} file is present, VASP ignores | {{NB|important|If a {{FILE|KPOINTS}} file is present, VASP ignores the {{TAG|KGAMMA}} and {{TAG|KSPACING}} tags. Likewise, if a {{FILE|KPOINTS_OPT}} file is present, VASP ignores {{TAG|KGAMMA}} and {{TAG|KSPACING_OPT}}.}} | ||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|KSPACING}}, {{TAG|KSPACING_OPT}} | |||
{{sc|KGAMMA|HowTo|Workflows that use this tag}} | {{sc|KGAMMA|HowTo|Workflows that use this tag}} | ||
[[Category:INCAR tag]][[Category:Crystal momentum]] | [[Category:INCAR tag]][[Category:Crystal momentum]] | ||
Latest revision as of 15:33, 20 March 2026
KGAMMA = [logical]
Default: KGAMMA = .TRUE.
Description: Whether the automatically generated k-point mesh is centered at the [math]\displaystyle{ \Gamma }[/math] point.
If KGAMMA = .TRUE. (default), the k-point mesh is centered at the [math]\displaystyle{ \Gamma }[/math] point, i.e., it always includes the [math]\displaystyle{ \Gamma }[/math] point. If KGAMMA = .FALSE., the mesh is shifted away from the [math]\displaystyle{ \Gamma }[/math] point as in a Monkhorst-Pack grid. The number of k points on the mesh is controlled by KSPACING and KSPACING_OPT.
| Important: If a KPOINTS file is present, VASP ignores the KGAMMA and KSPACING tags. Likewise, if a KPOINTS_OPT file is present, VASP ignores KGAMMA and KSPACING_OPT. |