KGAMMA: Difference between revisions

Revision as of 15:24, 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.

Important: If a KPOINTS file is present, VASP ignores both the KGAMMA and KSPACING tags.

@@ Line 1: / Line 1: @@
 {{TAGDEF|KGAMMA|[logical]|.TRUE.}}
+Description: Whether the automatically generated '''k'''-point mesh is centered at the <math>\Gamma</math> point.
-Description: Determines whether the k points (specified by the {{TAG|KSPACING}} tag ) include ({{TAG|KGAMMA}}=.TRUE.) the <math>\Gamma</math> point.
 ----
-{{NB|important| If a {{TAG|KPOINTS}} file is present, VASP ignores the {{TAG|KGAMMA}} tag and the {{TAG|KSPACING}} tag.}}
+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}}.
+{{NB|important|If a {{FILE|KPOINTS}} file is present, VASP ignores both the {{TAG|KGAMMA}} and {{TAG|KSPACING}} tags.}}
 == Related tags and articles ==
-{{TAG|KSPACING}}
+Tags: {{TAG|KSPACING}}
-{{sc|KGAMMA|Examples|Examples that use this tag}}
+{{sc|KGAMMA|HowTo|Workflows that use this tag}}
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 [[Category:INCAR tag]][[Category:Crystal momentum]]