VDW_A1

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Revision as of 11:23, 9 February 2024 by Ftran (talk | contribs)

VDW_A1 = [real] 

Default: VDW_A1 = 1.0 for DFT-D3 with the BJ damping

Description: VDW_A1 defines the damping function parameter .


VDW_A1 sets the damping function parameter in the DFT-D3 and DFT-D4 methods.

Related tags and articles

DFT-D3

Examples that use this tag