VDW_A1

VDW_A1 = [real] 

Default: VDW_A1

= 1.0

for DFT-D3 with the BJ damping function

Description: VDW_A1 defines the damping function parameter $a_{1}$.

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VDW_A1 sets the damping function parameter $a_{1}$ for the DFT-D3 (BJ damping function) and DFT-D4 methods.

Related tags and articles

DFT-D3

Examples that use this tag

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