VDW A1: Difference between revisions
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{{DISPLAYTITLE:VDW_A1}} | {{DISPLAYTITLE:VDW_A1}} | ||
{{TAGDEF|VDW_A1|[real]}} | {{TAGDEF|VDW_A1|[real]}} | ||
{{DEF|VDW_A1|1.0|for [[DFT-D3]] with the BJ damping}} | {{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>. | ||
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{{TAG|VDW_A1}} sets the damping function parameter <math>a_{1}</math> in the [[DFT-D3]] and DFT-D4 methods. | {{TAG|VDW_A1}} sets the damping function parameter <math>a_{1}</math> in the [[DFT-D3]] (BJ damping function) and DFT-D4 methods. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 11:27, 9 February 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] in the DFT-D3 (BJ damping function) and DFT-D4 methods.