VDW SR: Difference between revisions

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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}</math> (or scaling factor <math>\beta</math>).
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{{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}</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}} 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>\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}}


== Related tags and articles ==
== Related tags and articles ==
[[DFT-D2]],
[[DFT-D3]],
[[DFT-D3]],
[[simple-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}}

Latest revision as of 09:59, 30 January 2026

VDW_SR = [real] 

Description: VDW_SR defines the damping function parameter [math]\displaystyle{ s_{R} }[/math] (or scaling factor [math]\displaystyle{ \beta }[/math]).


VDW_SR sets the damping function parameter [math]\displaystyle{ s_{R} }[/math] (or scaling factor [math]\displaystyle{ \beta }[/math]) for the DFT-D2, DFT-D3, DDsC, Tkatchenko-Scheffler or Many-body dispersion energy methods.

Related tags and articles

DFT-D2, DFT-D3, DDsC, Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag