VDW SR: Difference between revisions
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{{DISPLAYTITLE:VDW_SR}} | {{DISPLAYTITLE:VDW_SR}} | ||
{{TAGDEF|VDW_SR|[real]|depends on the selected van der Waals method and exchange-correlation functional}} | {{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). | Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling factor). | ||
Revision as of 09:08, 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