VDW A1: Difference between revisions

Revision as of 11:28, 9 February 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 5: / Line 5: @@
 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> in the [[DFT-D3]] (BJ damping function) 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 ==