VDW RADIUS: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
{{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 Å) for the van der Waals pair interactions. | Description: Defines the cutoff radius (in Å) for the van der Waals pair interactions. | ||
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