VDW S9 - Revision history

Ftran at 11:27, 2 March 2026

2026-03-02T11:27:32Z

← Older revision		Revision as of 11:27, 2 March 2026
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	Description: {{TAG\|VDW_S9}} sets the contribution of the three-body term to the dispersion energy.		Description: {{TAG\|VDW_S9}} sets the contribution of the three-body term to the dispersion energy.
	----		----
	{{TAG\|VDW_S9}} allows to set the coefficient <math>s_{9}</math> that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods implemented in the [[simple DFT-D3]] ({{TAG\|IVDW}}=15) and [[DFT-D4]] ({{TAG\|IVDW}}=13) external packages, respectively.		{{TAG\|VDW_S9}} allows to set the coefficient <math>s_{9}</math> that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods implemented in the [[simple-DFT-D3]] ({{TAG\|IVDW}}=15) and [[DFT-D4]] ({{TAG\|IVDW}}=13) external packages, respectively.
	{{NB\|mind\|		{{NB\|mind\|
	*The {{TAG\|VDW_S9}} tag is available from VASP.6.6.0 onwards.		*The {{TAG\|VDW_S9}} tag is available from VASP.6.6.0 onwards.

Ftran at 10:59, 2 March 2026

2026-03-02T10:59:46Z

← Older revision		Revision as of 10:59, 2 March 2026
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	{{TAG\|VDW_S6}},		{{TAG\|VDW_S6}},
	{{TAG\|VDW_S8}},		{{TAG\|VDW_S8}},
	[[simple DFT-D3]],		[[simple-DFT-D3]],
	[[DFT-D4]]		[[DFT-D4]]

Ftran: Created page with "{{DISPLAYTITLE:VDW_S9}} {{TAGDEF|VDW_S9|[real]}} {{DEF|VDW_S9|1|if {{TAG|IVDW}}{{=}}13 (DFT-D4 package)|0|if {{TAG|IVDW}}{{=}}15 (simple DFT-D3 package)|0|if {{TAG|IVDW}}{{=}}11 or 12 ('''cannot be changed''')}} Description: {{TAG|VDW_S9}} sets the contribution of the three-body term to the dispersion energy. ---- {{TAG|VDW_S9}} allows to set the coefficient $s_{9}$ that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods..."

2026-03-02T10:55:58Z

Created page with "{{DISPLAYTITLE:VDW_S9}} {{TAGDEF|VDW_S9|[real]}} {{DEF|VDW_S9|1|if {{TAG|IVDW}}{{=}}13 (DFT-D4 package)|0|if {{TAG|IVDW}}{{=}}15 (simple DFT-D3 package)|0|if {{TAG|IVDW}}{{=}}11 or 12 ('''cannot be changed''')}} Description: {{TAG|VDW_S9}} sets the contribution of the three-body term to the dispersion energy. ---- {{TAG|VDW_S9}} allows to set the coefficient <math>s_{9}</math> that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods..."

New page

{{DISPLAYTITLE:VDW_S9}}
{{TAGDEF|VDW_S9|[real]}}
{{DEF|VDW_S9|1|if {{TAG|IVDW}}{{=}}13 (DFT-D4 package)|0|if {{TAG|IVDW}}{{=}}15 (simple DFT-D3 package)|0|if {{TAG|IVDW}}{{=}}11 or 12 ('''cannot be changed''')}}

Description: {{TAG|VDW_S9}} sets the contribution of the three-body term to the dispersion energy.
----
{{TAG|VDW_S9}} allows to set the coefficient <math>s_{9}</math> that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods implemented in the [[simple DFT-D3]] ({{TAG|IVDW}}=15) and [[DFT-D4]] ({{TAG|IVDW}}=13) external packages, respectively.
{{NB|mind|
*The {{TAG|VDW_S9}} tag is available from VASP.6.6.0 onwards.
*<math>s_{9}=0</math> for {{TAG|IVDW}}{{=}}11 and 12 (VASP implementation of [[DFT-D3]]) and cannot be changed with {{TAG|VDW_S9}}.}}

== Related tags and articles ==
{{TAG|IVDW}},
{{TAG|VDW_S6}},
{{TAG|VDW_S8}},
[[simple DFT-D3]],
[[DFT-D4]]

{{sc|VDW_S9|Examples|Examples that use this tag}}
----

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