VDW CNRADIUS: Difference between revisions

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{{DISPLAYTITLE:VDW_CNRADIUS}}
{{DISPLAYTITLE:VDW_CNRADIUS}}
{{TAGDEF|VDW_CNRADIUS|[real]|1600}}
{{TAGDEF|VDW_CNRADIUS|[real]|21.167}}


Description: {{TAG|VDW_CNRADIUS}} defines the cutoff radius (in <math>\AA</math>) for the calculation of the coordination numbers.
Description: {{TAG|VDW_CNRADIUS}} defines the cutoff radius (in <math>\AA</math>) for the calculation of the coordination numbers.

Latest revision as of 08:44, 10 June 2024

VDW_CNRADIUS = [real]
Default: VDW_CNRADIUS = 21.167 

Description: VDW_CNRADIUS defines the cutoff radius (in ) for the calculation of the coordination numbers.


VDW_CNRADIUS sets the cutoff radius (in ) for the calculation of the coordination numbers used for the DFT-D3 method.

Related tags and articles

DFT-D3

Examples that use this tag