VDW RADIUS: Difference between revisions
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{{DISPLAYTITLE:VDW_RADIUS}} | {{DISPLAYTITLE:VDW_RADIUS}} | ||
{{TAGDEF|VDW_RADIUS|[real]|50}} | {{TAGDEF|VDW_RADIUS|[real]|50 (50.2 for DFT-D3)}} | ||
Description: Defines the cutoff radius (in | Description: Defines the cutoff radius (in Å) for the van der Waals pair interactions. | ||
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{{TAG|VDW_RADIUS}} sets the cutoff radius for the van der Waals pair interactions in | {{TAG|VDW_RADIUS}} sets the cutoff radius for the van der Waals pair interactions in Å for the [[DFT-D2]], [[DFT-D3]], [[DFT-ulg]], [[DDsC_dispersion_correction|DDsC]], and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] methods. | ||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 14:18, 19 December 2025
VDW_RADIUS = [real]
Default: VDW_RADIUS = 50 (50.2 for DFT-D3)
Description: Defines the cutoff radius (in Å) for the van der Waals pair interactions.
VDW_RADIUS sets the cutoff radius for the van der Waals pair interactions in Å for the DFT-D2, DFT-D3, DFT-ulg, DDsC, and Tkatchenko-Scheffler methods.
Related tags and articles
DFT-D2, DFT-D3, DFT-ulg, DDsC, Tkatchenko-Scheffler method