VDW_CNRADIUS

VDW_CNRADIUS = [real]
Default: VDW_CNRADIUS = 1600 

Description: VDW_CNRADIUS defines the cutoff radius (in $\mathrm {\AA}$) for the calculation of the coordination numbers.

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VDW_CNRADIUS sets the cutoff radius (in $\mathrm {\AA}$) for the calculation of the coordination numbers used for the DFT-D3 method.

Related tags and articles

DFT-D3

Examples that use this tag

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