VDW SR - Revision history

Ftran at 11:12, 2 March 2026

2026-03-02T11:12:32Z

← Older revision		Revision as of 11:12, 2 March 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~defines~~ the damping function ~~parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>)~~.		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of van der Waals methods.
	----		----
	{{TAG\|VDW_SR}} ~~sets~~ the ~~damping function~~ parameter <math>s_{R}</math> ~~(or scaling factor <math>\beta</math>)~~ for ~~the~~ [[DFT-D2]], [[DFT-D3]]~~, [[DDsC_dispersion_correction~~\|~~DDsC]], [[Tkatchenko-Scheffler_method~~\|Tkatchenko-Scheffler~~]] or [[Many~~-body dispersion energy\|~~Many~~-~~body dispersion energy~~]] ~~methods~~.		{{TAG\|VDW_SR}} allows to set the value of a parameter in the following methods:
			*Radii scaling <math>s_{r,6}</math> in the dipole-dipole zero-damping function of DFT-D3. {{TAG\|VDW_SR}} can be used for both implementations of DFT-D3: [[DFT-D3]] ({{TAG\|IVDW}}=11) and [[simple-DFT-D3]] ({{TAG\|IVDW}}=15 with {{TAG\|SDFTD3_DAMPING}}=zero or mzero).
			*Radii scaling <math>s_{R}</math> in the damping function of the Tkatchenko-Scheffler methods ({{TAG\|IVDW}}=2 and 21).
			*Radii scaling <math>\beta</math> in the damping function of the many-body dispersion energy methods ({{TAG\|IVDW}}=202 and 263).
			*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]] ({{TAG\|IVDW}}=4).

	== Related tags and articles ==		== Related tags and articles ==
	~~[[DFT-D2]]~~,		{{TAG\|IVDW}},
			{{TAG\|VDW_SR}},
	[[DFT-D3]],		[[DFT-D3]],
	[[~~DDsC_dispersion_correction\|DDsC~~]],		[[simple-DFT-D3]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Tkatchenko-Scheffler method with iterative Hirshfeld partitioning]],
			[[Many-body dispersion energy\|Many-body dispersion energy]],
			[[Many-body dispersion energy with fractionally ionic model for polarizability]],
			[[DDsC_dispersion_correction\|DDsC]]

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}

Ftran: Undo revision 33449 by Ftran (talk)

2026-01-30T09:59:18Z

Undo revision 33449 by Ftran (talk)

← Older revision		Revision as of 09:59, 30 January 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{~~r,6~~}</math> (or scaling factor <math>\beta</math>).		Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>).
	----		----
	{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.		{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.

Ftran: Undo revision 33450 by Ftran (talk)

2026-01-30T09:59:09Z

Undo revision 33450 by Ftran (talk)

← Older revision		Revision as of 09:59, 30 January 2026
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	Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).		Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).
	----		----
	{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{~~r,6~~}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.		{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.

	== Related tags and articles ==		== Related tags and articles ==

Ftran: Undo revision 33506 by Ftran (talk)

2026-01-30T09:58:53Z

Undo revision 33506 by Ftran (talk)

← Older revision		Revision as of 09:58, 30 January 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~sets a parameter in~~ the damping function ~~of the [[DFT-D3]]~~ (~~zero-damping function~~)~~, [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] and [[Many-body dispersion energy\|Many-body dispersion energy]] methods~~.		Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).
	----		----
	{{TAG\|VDW_SR}} ~~allows to set~~ the ~~value of a~~ parameter ~~in damping functions:~~		{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.
	*Scaling <math>s_{r,6}</math> ~~in the zero-damping function of [[DFT-D3]]~~ (~~{{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}~~
	*Scaling <math>~~s_{R}~~</math> ~~in the damping function of~~ the [[~~Tkatchenko~~-~~Scheffler_method\|Tkatchenko~~-~~Scheffler~~]] ~~method.{{cite\|tkatchenko:prl:09}}~~
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]]~~.{{cite~~\|~~steinmann:jctc:11}}~~
	*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] ~~method~~.~~{{cite\|ambrosetti:jcp:14}}~~

	== Related tags and articles ==		== Related tags and articles ==
			[[DFT-D2]],
	[[DFT-D3]],		[[DFT-D3]],
			[[DDsC_dispersion_correction\|DDsC]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]]
	~~[[DDsC_dispersion_correction\|DDsC]],~~

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}

Ftran: Undo revision 33507 by Ftran (talk)

2026-01-30T09:58:44Z

Undo revision 33507 by Ftran (talk)

← Older revision		Revision as of 09:58, 30 January 2026
Line 5:		Line 5:
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
	*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}} ~~Since VASP.6.6.0, also for the DFT-D3 implementation in the [[simple-DFT-D3]] package (for {{TAG\|SDFTD3_DAMPING}}=zero or mzero).~~		*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}
	*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}		*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
	*Scaling <math>\beta</math> in the damping function of the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}		*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
			*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	[[DFT-D3]],		[[DFT-D3]],
	~~[[simple-DFT-D3]],~~
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]],

Ftran: Undo revision 33512 by Ftran (talk)

2026-01-30T09:58:28Z

Undo revision 33512 by Ftran (talk)

← Older revision		Revision as of 09:58, 30 January 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]], [[Many-body dispersion energy\|Many-body dispersion energy~~]] and [[DDsC_dispersion_correction\|DDsC~~]] methods.		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] and [[Many-body dispersion energy\|Many-body dispersion energy]] methods.
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:

Ftran at 15:34, 29 January 2026

2026-01-29T15:34:31Z

← Older revision		Revision as of 15:34, 29 January 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] ~~and~~ [[Many-body dispersion energy\|Many-body dispersion energy]] methods.		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]], [[Many-body dispersion energy\|Many-body dispersion energy]] and [[DDsC_dispersion_correction\|DDsC]] methods.
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:

Ftran at 15:02, 29 January 2026

2026-01-29T15:02:58Z

← Older revision		Revision as of 15:02, 29 January 2026
Line 5:		Line 5:
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
	*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}		*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}} Since VASP.6.6.0, also for the DFT-D3 implementation in the [[simple-DFT-D3]] package (for {{TAG\|SDFTD3_DAMPING}}=zero or mzero).
	*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}		*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
			*Scaling <math>\beta</math> in the damping function of the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}		*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
	*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	[[DFT-D3]],		[[DFT-D3]],
			[[simple-DFT-D3]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]],

Ftran at 14:45, 29 January 2026

2026-01-29T14:45:58Z

← Older revision		Revision as of 14:45, 29 January 2026
Line 2:		Line 2:
	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~defines~~ the damping function ~~parameter <math>s_{r,6}</math>~~ (~~or scaling factor <math>\beta</math>~~).		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] and [[Many-body dispersion energy\|Many-body dispersion energy]] methods.
	----		----
	{{TAG\|VDW_SR}} ~~sets~~ the damping ~~function parameter~~ <math>s_{r,6}</math> (~~or scaling factor~~ <math>~~\beta~~</math>~~) for~~ the [[~~DFT~~-D2]]~~, [[DFT~~-~~D3]],~~ [[DDsC_dispersion_correction\|DDsC]]~~, [[Tkatchenko-Scheffler_method~~\|~~Tkatchenko-Scheffler]] or~~ [[Many-body dispersion energy\|Many-body dispersion energy]] ~~methods~~.		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
			*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}
			*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
			*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
			*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	~~[[DFT-D2]],~~
	[[DFT-D3]],		[[DFT-D3]],
			[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
			[[Many-body dispersion energy\|Many-body dispersion energy]],
	[[DDsC_dispersion_correction\|DDsC]],		[[DDsC_dispersion_correction\|DDsC]],
	~~[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],~~
	~~[[Many-body dispersion energy\|Many-body dispersion energy]]~~

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}

Ftran at 16:37, 28 January 2026

2026-01-28T16:37:13Z

← Older revision		Revision as of 16:37, 28 January 2026
Line 4:		Line 4:
	Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).		Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).
	----		----
	{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.		{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.

	== Related tags and articles ==		== Related tags and articles ==

← Older revision		Revision as of 11:12, 2 March 2026
Line 2:		Line 2:
	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~defines~~ the damping function ~~parameter <math>s_{R}</math> (or scaling factor <math>\beta</math>)~~.		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of van der Waals methods.
	----		----
	{{TAG\|VDW_SR}} ~~sets~~ the ~~damping function~~ parameter <math>s_{R}</math> ~~(or scaling factor <math>\beta</math>)~~ for ~~the~~ [[DFT-D2]], [[DFT-D3]]~~, [[DDsC_dispersion_correction~~\|~~DDsC]], [[Tkatchenko-Scheffler_method~~\|Tkatchenko-Scheffler~~]] or [[Many~~-body dispersion energy\|~~Many~~-~~body dispersion energy~~]] ~~methods~~.		{{TAG\|VDW_SR}} allows to set the value of a parameter in the following methods:
			*Radii scaling <math>s_{r,6}</math> in the dipole-dipole zero-damping function of DFT-D3. {{TAG\|VDW_SR}} can be used for both implementations of DFT-D3: [[DFT-D3]] ({{TAG\|IVDW}}=11) and [[simple-DFT-D3]] ({{TAG\|IVDW}}=15 with {{TAG\|SDFTD3_DAMPING}}=zero or mzero).
			*Radii scaling <math>s_{R}</math> in the damping function of the Tkatchenko-Scheffler methods ({{TAG\|IVDW}}=2 and 21).
			*Radii scaling <math>\beta</math> in the damping function of the many-body dispersion energy methods ({{TAG\|IVDW}}=202 and 263).
			*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]] ({{TAG\|IVDW}}=4).

	== Related tags and articles ==		== Related tags and articles ==
	~~[[DFT-D2]]~~,		{{TAG\|IVDW}},
			{{TAG\|VDW_SR}},
	[[DFT-D3]],		[[DFT-D3]],
	[[~~DDsC_dispersion_correction\|DDsC~~]],		[[simple-DFT-D3]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]]		[[Tkatchenko-Scheffler method with iterative Hirshfeld partitioning]],
			[[Many-body dispersion energy\|Many-body dispersion energy]],
			[[Many-body dispersion energy with fractionally ionic model for polarizability]],
			[[DDsC_dispersion_correction\|DDsC]]

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}

← Older revision		Revision as of 09:58, 30 January 2026
Line 2:		Line 2:
	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~sets a parameter in~~ the damping function ~~of the [[DFT-D3]]~~ (~~zero-damping function~~)~~, [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] and [[Many-body dispersion energy\|Many-body dispersion energy]] methods~~.		Description: {{TAG\|VDW_SR}} defines the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>).
	----		----
	{{TAG\|VDW_SR}} ~~allows to set~~ the ~~value of a~~ parameter ~~in damping functions:~~		{{TAG\|VDW_SR}} sets the damping function parameter <math>s_{r,6}</math> (or scaling factor <math>\beta</math>) for the [[DFT-D2]], [[DFT-D3]], [[DDsC_dispersion_correction\|DDsC]], [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] or [[Many-body dispersion energy\|Many-body dispersion energy]] methods.
	*Scaling <math>s_{r,6}</math> ~~in the zero-damping function of [[DFT-D3]]~~ (~~{{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}~~
	*Scaling <math>~~s_{R}~~</math> ~~in the damping function of~~ the [[~~Tkatchenko~~-~~Scheffler_method\|Tkatchenko~~-~~Scheffler~~]] ~~method.{{cite\|tkatchenko:prl:09}}~~
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]]~~.{{cite~~\|~~steinmann:jctc:11}}~~
	*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] ~~method~~.~~{{cite\|ambrosetti:jcp:14}}~~

	== Related tags and articles ==		== Related tags and articles ==
			[[DFT-D2]],
	[[DFT-D3]],		[[DFT-D3]],
			[[DDsC_dispersion_correction\|DDsC]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]]
	~~[[DDsC_dispersion_correction\|DDsC]],~~

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}

← Older revision		Revision as of 09:58, 30 January 2026
Line 5:		Line 5:
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
	*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}} ~~Since VASP.6.6.0, also for the DFT-D3 implementation in the [[simple-DFT-D3]] package (for {{TAG\|SDFTD3_DAMPING}}=zero or mzero).~~		*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}
	*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}		*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
	*Scaling <math>\beta</math> in the damping function of the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}		*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
			*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	[[DFT-D3]],		[[DFT-D3]],
	~~[[simple-DFT-D3]],~~
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]],

← Older revision		Revision as of 15:02, 29 January 2026
Line 5:		Line 5:
	----		----
	{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
	*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}		*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}} Since VASP.6.6.0, also for the DFT-D3 implementation in the [[simple-DFT-D3]] package (for {{TAG\|SDFTD3_DAMPING}}=zero or mzero).
	*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}		*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
			*Scaling <math>\beta</math> in the damping function of the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}
	*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}		*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
	*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	[[DFT-D3]],		[[DFT-D3]],
			[[simple-DFT-D3]],
	[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],		[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
	[[Many-body dispersion energy\|Many-body dispersion energy]],		[[Many-body dispersion energy\|Many-body dispersion energy]],

← Older revision		Revision as of 14:45, 29 January 2026
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	{{TAGDEF\|VDW_SR\|[real]}}		{{TAGDEF\|VDW_SR\|[real]}}

	Description: {{TAG\|VDW_SR}} ~~defines~~ the damping function ~~parameter <math>s_{r,6}</math>~~ (~~or scaling factor <math>\beta</math>~~).		Description: {{TAG\|VDW_SR}} sets a parameter in the damping function of the [[DFT-D3]] (zero-damping function), [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] and [[Many-body dispersion energy\|Many-body dispersion energy]] methods.
	----		----
	{{TAG\|VDW_SR}} ~~sets~~ the damping ~~function parameter~~ <math>s_{r,6}</math> (~~or scaling factor~~ <math>~~\beta~~</math>~~) for~~ the [[~~DFT~~-D2]]~~, [[DFT~~-~~D3]],~~ [[DDsC_dispersion_correction\|DDsC]]~~, [[Tkatchenko-Scheffler_method~~\|~~Tkatchenko-Scheffler]] or~~ [[Many-body dispersion energy\|Many-body dispersion energy]] ~~methods~~.		{{TAG\|VDW_SR}} allows to set the value of a parameter in damping functions:
			*Scaling <math>s_{r,6}</math> in the zero-damping function of [[DFT-D3]] ({{TAG\|IVDW}}=11).{{cite\|grimme:jcp:10}}
			*Scaling <math>s_{R}</math> in the damping function of the [[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler]] method.{{cite\|tkatchenko:prl:09}}
			*TT-damping factor <math>b_0</math> in [[DDsC_dispersion_correction\|DDsC]].{{cite\|steinmann:jctc:11}}
			*Scaling <math>\beta</math> in damping function in the [[Many-body dispersion energy\|Many-body dispersion energy]] method.{{cite\|ambrosetti:jcp:14}}

	== Related tags and articles ==		== Related tags and articles ==
	~~[[DFT-D2]],~~
	[[DFT-D3]],		[[DFT-D3]],
			[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],
			[[Many-body dispersion energy\|Many-body dispersion energy]],
	[[DDsC_dispersion_correction\|DDsC]],		[[DDsC_dispersion_correction\|DDsC]],
	~~[[Tkatchenko-Scheffler_method\|Tkatchenko-Scheffler method]],~~
	~~[[Many-body dispersion energy\|Many-body dispersion energy]]~~

	{{sc\|VDW_SR\|Examples\|Examples that use this tag}}		{{sc\|VDW_SR\|Examples\|Examples that use this tag}}