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VDW_A1

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

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VDW_A1 = [real]

Default: VDW_A1

= 1.0

for DFT-D3 with the BJ damping

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

VDW_A1 sets the damping function parameter $a_{1}$ in the DFT-D3 and DFT-D4 methods.

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