KGAMMA

From VASP Wiki
Revision as of 15:24, 20 March 2026 by Huebsch (talk | contribs) (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 ----)

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.

Related tags and articles

Tags: KSPACING

Workflows that use this tag