VDW SR: Difference between revisions

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{{DISPLAYTITLE:VDW_SR}}
{{DISPLAYTITLE:VDW_SR}}
{{TAGDEF|VDW_SR|[real]|1.0}}
{{TAGDEF|VDW_SR|[real]|depends on the selected van der Waals method and exchange-correlation functional}}


Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling factor) in the {{TAG|DFT-D2}}, {{TAG|DFT-D3}},  [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] or [[Many-body dispersion energy|Many-body dispersion energy]] method.
Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling factor).
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{{TAG|VDW_SR}} sets the damping function parameter <math>s_{R}</math> (or scaling factor) in 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 ==

Revision as of 09:07, 9 February 2024

VDW_SR = [real]
Default: VDW_SR = depends on the selected van der Waals method and exchange-correlation functional 

Description: VDW_SR defines the damping function parameter (or scaling factor).


VDW_SR sets the damping function parameter (or scaling factor) in the DFT-D2, DFT-D3, DDsC, Tkatchenko-Scheffler or Many-body dispersion energy methods.

Related tags and articles

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

Examples that use this tag