VDW_D

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Revision as of 09:42, 9 February 2024 by Ftran (talk | contribs)

VDW_D = [real] 

Default: VDW_D = 20 for DFT-D2 and Tkatchenko-Scheffler
= 0.6966 for DFT-ulg
= 6 for Many-body dispersion energy

Description: VDW_D defines the damping parameter .


VDW_D sets the damping parameter in the DFT-D2, DFT-ulg, Tkatchenko-Scheffler, and Many-body dispersion energy methods.

Related tags and articles

DFT-D2, DFT-ulg, Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag