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> for the [[DFT-D3]] (BJ damping function) and [[DFT-D4]] methods.


== Related tags and articles ==
== Related tags and articles ==
[[DFT-D3]]
[[DFT-D3]],[[DFT-D4]]


{{sc|VDW_A1|Examples|Examples that use this tag}}
{{sc|VDW_A1|Examples|Examples that use this tag}}

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 .


VDW_A1 sets the damping function parameter for the DFT-D3 (BJ damping function) and DFT-D4 methods.

Related tags and articles

DFT-D3,DFT-D4

Examples that use this tag