VDW_RADIUS

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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

Examples that use this tag