VDW A2: Difference between revisions

Latest revision as of 11:10, 2 March 2026

VDW_A2 = [real]

Description: VDW_A2 sets the offset [math]\displaystyle{ a_{2} }[/math] of the critical radii in the rational Becke-Johnson damping function of the DFT-D3 and DFT-D4 methods.

VDW_A2 allows to set the offset [math]\displaystyle{ a_{2} }[/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).

@@ Line 2: / Line 2: @@
 {{TAGDEF|VDW_A2|[real]}}
-Description: {{TAG|VDW_A2}} defines the damping function parameter <math>a_{2}</math>.
+Description: {{TAG|VDW_A2}} sets the offset <math>a_{2}</math> of the critical radii in the rational Becke-Johnson damping function of the DFT-D3 and [[DFT-D4]] methods.
 ----
-{{TAG|VDW_A2}} defines the damping function parameter <math>a_{2}</math> for the [[DFT-D3]] (BJ damping function) and [[DFT-D4]] methods.
+{{TAG|VDW_A2}} allows to set the offset <math>a_{2}</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 articles ==
-[[DFT-D3]],[[DFT-D4]]
+{{TAG|IVDW}},
+{{TAG|VDW_A1}},
+[[DFT-D3]],
+[[simple-DFT-D3]],
+[[DFT-D4]]
 {{sc|VDW_A2|Examples|Examples that use this tag}}