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VDW_SR

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Revision as of 15:36, 7 February 2024 by Ftran (talk | contribs)

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VDW_SR = [real]
Default: VDW_SR = 1.0

Description: VDW_SR defines the damping function parameter $s_{R}$ (or scaling factor) in the DFT-D2, DFT-D3 or Tkatchenko-Scheffler method.

Related tags and articles

DFT-D2, DFT-D3, Tkatchenko-Scheffler

Examples that use this tag

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