VDW A1: Difference between revisions

Latest revision as of 09:02, 30 January 2026

VDW_A1 = [real]

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.

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 {{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>.