VDW A1: Difference between revisions
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{{TAGDEF|VDW_A1|[real]|1.0}} | {{DISPLAYTITLE:VDW_A1}} | ||
{{TAGDEF|VDW_A1|[real]}} | |||
{{DEF|VDW_A1|1.0|for [[DFT-D3]] with the BJ damping function}} | |||
Description: {{TAG|VDW_A1}} defines the damping function parameter <math>a_{1}</math> | Description: {{TAG|VDW_A1}} defines the damping function parameter <math>a_{1}</math>. | ||
---- | ---- | ||
{{TAG|VDW_A1}} sets the damping function parameter <math>a_{1}</math> for the [[DFT-D3]] (BJ damping function) and [[DFT-D4]] methods. | |||
== Related | == Related tags and articles == | ||
[[DFT-D3]],[[DFT-D4]] | |||
{{sc|VDW_A1|Examples|Examples that use this tag}} | {{sc|VDW_A1|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:van der Waals]] | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]] | ||
Latest revision as of 07:43, 13 June 2024
VDW_A1 = [real]
| Default: VDW_A1 | = 1.0 | for DFT-D3 with the BJ damping function |
Description: VDW_A1 defines the damping function parameter [math]\displaystyle{ a_{1} }[/math].
VDW_A1 sets the damping function parameter [math]\displaystyle{ a_{1} }[/math] for the DFT-D3 (BJ damping function) and DFT-D4 methods.