VDW RADIUS: Difference between revisions
No edit summary |
No edit summary |
||
| Line 2: | Line 2: | ||
{{TAGDEF|VDW_RADIUS|[real]|50}} | {{TAGDEF|VDW_RADIUS|[real]|50}} | ||
Description: Defines the cutoff radius (in | Description: Defines the cutoff radius (in Å) for the van der Waals pair interactions. | ||
---- | ---- | ||
Revision as of 13:56, 19 December 2025
VDW_RADIUS = [real]
Default: VDW_RADIUS = 50
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 [math]\displaystyle{ \AA }[/math] 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