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VDW_RADIUS

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Revision as of 08:20, 9 February 2024 by Huebsch (talk | contribs)

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VDW_RADIUS = [real]

Description: Defines the cutoff radius (in $\AA$ ) for the van der Waals pair interactions.

VDW_RADIUS sets the cutoff radius for the van der Waals pair interactions in $\AA$ for DFT-D2, DFT-D3 and the Tkatchenko-Scheffler methods.

Related tags and articles

DFT-D2, DFT-D3, Tkatchenko-Scheffler method

Examples that use this tag

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