VDW_SR

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VDW_SR = [real] 

Description: VDW_SR defines the damping function parameter [math]\displaystyle{ s_{R} }[/math] (or scaling factor [math]\displaystyle{ \beta }[/math]).


VDW_SR sets the damping function parameter [math]\displaystyle{ s_{R} }[/math] (or scaling factor [math]\displaystyle{ \beta }[/math]) for the DFT-D2, DFT-D3, DDsC, Tkatchenko-Scheffler or Many-body dispersion energy methods.

Related tags and articles

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

Examples that use this tag