VDW A1: Difference between revisions

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 $a_{1}$ .

VDW_A1 sets the damping function parameter $a_{1}$ for the DFT-D3 (BJ damping function) and DFT-D4 methods.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:VDW_A1}}
-{{TAGDEF|VDW_A1|[real]|1.0}}
+{{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> in the {{TAG|DFT-D3}} method.
+Description: {{TAG|VDW_A1}} defines the damping function parameter <math>a_{1}</math>.
 ----
+{{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 ==
-{{TAG|DFT-D3}}
+[[DFT-D3]],[[DFT-D4]]
 {{sc|VDW_A1|Examples|Examples that use this tag}}
 ----
-[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]