VDW SR: Difference between revisions
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{{TAGDEF|VDW_SR|[real]|1.0}} | {{TAGDEF|VDW_SR|[real]|1.0}} | ||
Description: {{TAG|VDW_SR}} defines the damping function parameter <math>s_{R}</math> (or scaling factor) in the {{TAG|DFT-D2}}, {{TAG|DFT-D3}} | 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. | ||
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Revision as of 16:23, 7 February 2024
VDW_SR = [real]
Default: VDW_SR = 1.0
Description: VDW_SR defines the damping function parameter (or scaling factor) in the DFT-D2, DFT-D3, Tkatchenko-Scheffler or Many-body dispersion energy method.
Related tags and articles
DFT-D2, DFT-D3, Tkatchenko-Scheffler method