VDW A1: Difference between revisions
No edit summary |
No edit summary |
||
| Line 5: | Line 5: | ||
Description: {{TAG|VDW_A1}} defines the damping function parameter <math>a_{1}</math>. | 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> | {{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 == | == Related tags and articles == | ||
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 [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.