VDW A1: Difference between revisions

Latest revision as of 11:06, 2 March 2026

VDW_A1 = [real]

Description: VDW_A1 sets the scaling [math]\displaystyle{ a_{1} }[/math] of the critical radii in the rational Becke-Johnson damping function of the DFT-D3 and DFT-D4 methods.

VDW_A1 allows to set the scaling [math]\displaystyle{ a_{1} }[/math] of the critical radii in the rational Becke-Johnson damping function:

DFT-D3 (IVDW=12).
simple-DFT-D3 (IVDW=15 with SDFTD3_DAMPING=rational, mrational, or optimizedpower).
DFT-D4 (IVDW=13).

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-{{TAGDEF|VDW_A1|[real]|1.0}}
+{{DISPLAYTITLE:VDW_A1}}
+{{TAGDEF|VDW_A1|[real]}}
-Description: {{TAG|VDW_A1}} defines the damping function parameter <math>a_{1}</math> in the {{TAG|DFT-D3}} method.
+Description: {{TAG|VDW_A1}} sets the scaling <math>a_{1}</math> of the critical radii in the rational Becke-Johnson damping function of the DFT-D3 and [[DFT-D4]] methods.
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+{{TAG|VDW_A1}} allows to set the scaling <math>a_{1}</math> of the critical radii in the rational Becke-Johnson damping function:
+*[[DFT-D3]] ({{TAG|IVDW}}=12).
+*[[simple-DFT-D3]] ({{TAG|IVDW}}=15 with {{TAG|SDFTD3_DAMPING}}=rational, mrational, or optimizedpower).
+*[[DFT-D4]] ({{TAG|IVDW}}=13).
-== Related Tags and Sections ==
+== Related tags and articles ==
-{{TAG|DFT-D3}}
+{{TAG|IVDW}},
+{{TAG|VDW_A2}},
+[[DFT-D3]],
+[[simple-DFT-D3]],
+[[DFT-D4]]
 {{sc|VDW_A1|Examples|Examples that use this tag}}
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-[[The_VASP_Manual|Contents]]
-[[Category:INCAR]][[Category:van der Waals]]
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]