VDW_SR

VDW_SR = [real]
Default: VDW_SR = depends on the selected van der Waals method and exchange-correlation functional 

Description: VDW_SR defines the damping function parameter $s_{R}$ (or scaling factor).

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VDW_SR sets the damping function parameter $s_{R}$ (or scaling factor) in the DFT-D2, DFT-D3, DDsC, Tkatchenko-Scheffler or Many-body dispersion energy methods.

Related tags and articles

DFT-D2, DFT-D3, Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag

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