K MULTIPLY - Revision history

Kaltakm: Kaltakm moved page Construction:K MULTIPLY to K MULTIPLY: publication

2026-04-17T16:08:43Z

Kaltakm moved page Construction:K MULTIPLY to K MULTIPLY: publication

← Older revision		Revision as of 16:08, 17 April 2026
(No difference)

Kaltakm at 07:52, 16 April 2026

2026-04-16T07:52:37Z

← Older revision		Revision as of 07:52, 16 April 2026
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	By default, {{TAG\|LDOWNSAMPLE}} triggers an automatic search that tries the ''same'' multiplier in all three directions. This works for isotropic grids but fails for anisotropic ones, e.g., when the {{FILE\|WAVECAR}} contains a 24×24×1 grid and the current calculation uses a 2×2×1 grid (requiring multipliers 12, 12, 1). In such cases, {{TAG\|K_MULTIPLY}} must be set explicitly.		By default, {{TAG\|LDOWNSAMPLE}} triggers an automatic search that tries the ''same'' multiplier in all three directions. This works for isotropic grids but fails for anisotropic ones, e.g., when the {{FILE\|WAVECAR}} contains a 24×24×1 grid and the current calculation uses a 2×2×1 grid (requiring multipliers 12, 12, 1). In such cases, {{TAG\|K_MULTIPLY}} must be set explicitly.
	{{NB\| tip \| For isotropic grids the automatic search is fast and {{TAG\|K_MULTIPLY}} is not required. Use {{TAG\|K_MULTIPLY}} when the grid ratio differs between directions.}}		{{NB\| tip \| For isotropic grids the automatic search is fast and {{TAG\|K_MULTIPLY}} is not required. Use {{TAG\|K_MULTIPLY}} when the grid ratio differs between directions.}}
	{{Available\|6.5.0}}		{{Available\|6.6.1}}

	==Usage==		==Usage==
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	Each value specifies the multiplier for the first, second, and third reciprocal-lattice direction, respectively. This is required when the dense-to-coarse grid ratio is not the same in every direction.		Each value specifies the multiplier for the first, second, and third reciprocal-lattice direction, respectively. This is required when the dense-to-coarse grid ratio is not the same in every direction.
	{{NB\| warning \| All values must be positive integers. Providing any number of values other than 1 or 3 will cause an error.}}		{{NB\| warning \| All values must be positive integers. Providing any number of values other than 1 or 3 will cause an error.}}
	~~{{NB\|mind\|Available as of 6.6.1.}}~~
	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LDOWNSAMPLE}}		{{TAG\|LDOWNSAMPLE}}

Kaltakm at 07:52, 16 April 2026

2026-04-16T07:52:17Z

← Older revision		Revision as of 07:52, 16 April 2026
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	By default, {{TAG\|LDOWNSAMPLE}} triggers an automatic search that tries the ''same'' multiplier in all three directions. This works for isotropic grids but fails for anisotropic ones, e.g., when the {{FILE\|WAVECAR}} contains a 24×24×1 grid and the current calculation uses a 2×2×1 grid (requiring multipliers 12, 12, 1). In such cases, {{TAG\|K_MULTIPLY}} must be set explicitly.		By default, {{TAG\|LDOWNSAMPLE}} triggers an automatic search that tries the ''same'' multiplier in all three directions. This works for isotropic grids but fails for anisotropic ones, e.g., when the {{FILE\|WAVECAR}} contains a 24×24×1 grid and the current calculation uses a 2×2×1 grid (requiring multipliers 12, 12, 1). In such cases, {{TAG\|K_MULTIPLY}} must be set explicitly.

	{{NB\| tip \| For isotropic grids the automatic search is fast and {{TAG\|K_MULTIPLY}} is not required. Use {{TAG\|K_MULTIPLY}} when the grid ratio differs between directions.}}		{{NB\| tip \| For isotropic grids the automatic search is fast and {{TAG\|K_MULTIPLY}} is not required. Use {{TAG\|K_MULTIPLY}} when the grid ratio differs between directions.}}
	{{Available\|6.5.0}}		{{Available\|6.5.0}}

Kaltakm at 07:52, 16 April 2026

2026-04-16T07:52:10Z

← Older revision		Revision as of 07:52, 16 April 2026
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	K_MULTIPLY = 12 12 1		K_MULTIPLY = 12 12 1
	Each value specifies the multiplier for the first, second, and third reciprocal-lattice direction, respectively. This is required when the dense-to-coarse grid ratio is not the same in every direction.		Each value specifies the multiplier for the first, second, and third reciprocal-lattice direction, respectively. This is required when the dense-to-coarse grid ratio is not the same in every direction.

	{{NB\| warning \| All values must be positive integers. Providing any number of values other than 1 or 3 will cause an error.}}		{{NB\| warning \| All values must be positive integers. Providing any number of values other than 1 or 3 will cause an error.}}
			{{NB\|mind\|Available as of 6.6.1.}}
	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LDOWNSAMPLE}}		{{TAG\|LDOWNSAMPLE}}

Kaltakm: Created page with "{{DISPLAYTITLE:K_MULTIPLY}} {{TAGDEF|K_MULTIPLY|[integer array]}} {{DEF|K_MULTIPLY|-1 -1 -1|if not set in {{FILE|INCAR}}}} Description: {{TAG|K_MULTIPLY}} sets the per-direction k-point grid multiplier for downsampling from a denser {{FILE|WAVECAR}} ---- {{TAG|K_MULTIPLY}} specifies the ratio between the denser k-point grid stored in the {{FILE|WAVECAR}} (or {{FILE|vaspwave.h5}}) and the coarser grid of the current calculation, for each of the three reciprocal-lattice..."

2026-04-16T07:47:48Z

Created page with "{{DISPLAYTITLE:K_MULTIPLY}} {{TAGDEF|K_MULTIPLY|[integer array]}} {{DEF|K_MULTIPLY|-1 -1 -1|if not set in {{FILE|INCAR}}}} Description: {{TAG|K_MULTIPLY}} sets the per-direction k-point grid multiplier for downsampling from a denser {{FILE|WAVECAR}} ---- {{TAG|K_MULTIPLY}} specifies the ratio between the denser k-point grid stored in the {{FILE|WAVECAR}} (or {{FILE|vaspwave.h5}}) and the coarser grid of the current calculation, for each of the three reciprocal-lattice..."

New page

{{DISPLAYTITLE:K_MULTIPLY}}
{{TAGDEF|K_MULTIPLY|[integer array]}}
{{DEF|K_MULTIPLY|-1 -1 -1|if not set in {{FILE|INCAR}}}}

Description: {{TAG|K_MULTIPLY}} sets the per-direction k-point grid multiplier for downsampling from a denser {{FILE|WAVECAR}}
----

{{TAG|K_MULTIPLY}} specifies the ratio between the denser k-point grid stored in the {{FILE|WAVECAR}} (or {{FILE|vaspwave.h5}}) and the coarser grid of the current calculation, for each of the three reciprocal-lattice directions independently.

When {{TAG|K_MULTIPLY}} is set, {{TAG|LDOWNSAMPLE}} is automatically set to {{TAGO|LDOWNSAMPLE|.TRUE.}}.

By default, {{TAG|LDOWNSAMPLE}} triggers an automatic search that tries the ''same'' multiplier in all three directions. This works for isotropic grids but fails for anisotropic ones, e.g., when the {{FILE|WAVECAR}} contains a 24×24×1 grid and the current calculation uses a 2×2×1 grid (requiring multipliers 12, 12, 1). In such cases, {{TAG|K_MULTIPLY}} must be set explicitly.

{{NB| tip | For isotropic grids the automatic search is fast and {{TAG|K_MULTIPLY}} is not required. Use {{TAG|K_MULTIPLY}} when the grid ratio differs between directions.}}
{{Available|6.5.0}}

==Usage==

=== Single value ===
K_MULTIPLY = 2
The value is replicated to all three directions, equivalent to <code>K_MULTIPLY = 2 2 2</code>.

=== Three values (anisotropic) ===
K_MULTIPLY = 12 12 1
Each value specifies the multiplier for the first, second, and third reciprocal-lattice direction, respectively. This is required when the dense-to-coarse grid ratio is not the same in every direction.

{{NB| warning | All values must be positive integers. Providing any number of values other than 1 or 3 will cause an error.}}

== Related tags and articles==
{{TAG|LDOWNSAMPLE}}

{{sc|K_MULTIPLY|Examples|Examples that use this tag}}

== References ==
<references/>

[[Category:INCAR tag]][[Category:Wannier functions]][[Category:Constrained-random-phase approximation]][[Category:Many-body perturbation theory]]