VDW CNRADIUS - Revision history

Ftran at 11:16, 2 March 2026

2026-03-02T11:16:11Z

← Older revision		Revision as of 11:16, 2 March 2026
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	{{DISPLAYTITLE:VDW_CNRADIUS}}		{{DISPLAYTITLE:VDW_CNRADIUS}}
	{{TAGDEF\|VDW_CNRADIUS\|[real]\|21.~~167~~}}		{{TAGDEF\|VDW_CNRADIUS\|[real]}}
			{{DEF\|VDW_CNRADIUS\|21.17\| if {{TAG\|IVDW}}{{=}}11, 12 or 15\|15.88\|if {{TAG\|IVDW}}{{=}}13}}

	Description: {{TAG\|VDW_CNRADIUS}} ~~defines the cutoff radius~~ (in Å) ~~for~~ the ~~calculation~~ of the ~~coordination numbers~~.		Description: {{TAG\|VDW_CNRADIUS}} (in Å) sets the coordination number cutoff of the DFT-D3 and [[DFT-D4]] methods.
	----		----
	{{TAG\|VDW_CNRADIUS}} ~~sets the cutoff radius~~ (in Å) for the ~~calculation of the coordination numbers used~~ for the [[DFT-D3]] ~~method~~.
			{{TAG\|VDW_CNRADIUS}} (in Å) allows to set the coordination number cutoff for the DFT-D3 ([[DFT-D3]] and [[simple-DFT-D3]] implementations) and [[DFT-D4]] methods.
			{{NB\|mind\|Available for the [[DFT-D4]] and [[simple-DFT-D3]] packages since VASP.6.6.0.}}

	== Related tags and articles ==		== Related tags and articles ==
	[[DFT-D3]]		{{TAG\|IVDW}},
			{{TAG\|VDW_RADIUS}},
			[[DFT-D3]],
			[[simple-DFT-D3]],
			[[DFT-D4]]

	{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}		{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}

2026-01-28T16:21:06Z

← Older revision		Revision as of 16:21, 28 January 2026
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	{{TAGDEF\|VDW_CNRADIUS\|[real]\|21.167}}		{{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 Å) for the calculation of the coordination numbers.
	----		----
	{{TAG\|VDW_CNRADIUS}} sets the cutoff radius (in ~~<math>\AA</math>~~) for the calculation of the coordination numbers used for the [[DFT-D3]] method.		{{TAG\|VDW_CNRADIUS}} sets the cutoff radius (in Å) for the calculation of the coordination numbers used for the [[DFT-D3]] method.

	== Related tags and articles ==		== Related tags and articles ==

2024-06-10T08:44:17Z

← Older revision		Revision as of 08:44, 10 June 2024
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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.

2024-02-09T13:11:26Z

← Older revision		Revision as of 13:11, 9 February 2024
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	{{DISPLAYTITLE:VDW_CNRADIUS}}		{{DISPLAYTITLE:VDW_CNRADIUS}}
	{{TAGDEF\|VDW_CNRADIUS\|[real]}}		{{TAGDEF\|VDW_CNRADIUS\|[real]\|1600}}

	Description: {{TAG\|VDW_CNRADIUS}} defines the cutoff radius (in <math>\AA</math>) for the calculation of the coordination numbers ~~used in the {{TAG\|DFT-D3}} method~~.		Description: {{TAG\|VDW_CNRADIUS}} defines the cutoff radius (in <math>\AA</math>) for the calculation of the coordination numbers.
	----		----
			{{TAG\|VDW_CNRADIUS}} sets the cutoff radius (in <math>\AA</math>) for the calculation of the coordination numbers used for the [[DFT-D3]] method.

	== Related tags and articles ==		== Related tags and articles ==
	~~{{TAG\|~~DFT-D3}}		[[DFT-D3]]

	{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}		{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}

2022-04-08T14:46:52Z

← Older revision		Revision as of 14:46, 8 April 2022
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	----		----

	[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]		[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

2022-04-07T06:54:28Z

2022-04-06T17:07:35Z

← Older revision		Revision as of 17:07, 6 April 2022
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	----		----

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|DFT-D3}}		{{TAG\|DFT-D3}}

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	----		----

	[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]		[[Category:INCAR tags]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]

2022-04-06T08:10:33Z

← Older revision		Revision as of 08:10, 6 April 2022
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			{{DISPLAYTITLE:VDW_CNRADIUS}}
	{{TAGDEF\|VDW_CNRADIUS\|[real]}}		{{TAGDEF\|VDW_CNRADIUS\|[real]}}

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	----		----

	[[Category:INCAR]][[Category:~~XC Functionals~~]][[Category:van der Waals]]		[[Category:INCAR]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]

2019-04-19T10:50:07Z

← Older revision		Revision as of 10:50, 19 April 2019
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	{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}		{{sc\|VDW_CNRADIUS\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]		[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]

2019-03-07T15:18:17Z

← Older revision		Revision as of 15:18, 7 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:van der Waals]]		[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]

← Older revision		Revision as of 06:54, 7 April 2022
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	----		----

	[[Category:INCAR ~~tags~~]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]		[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]