VDW A1: Difference between revisions

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Latest revision as of 07:43, 13 June 2024

VDW_A1 = [real] 

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

Description: VDW_A1 defines the damping function parameter .


VDW_A1 sets the damping function parameter for the DFT-D3 (BJ damping function) and DFT-D4 methods.

Related tags and articles

DFT-D3,DFT-D4

Examples that use this tag