VDW A1: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 1: Line 1:
{{DISPLAYTITLE:VDW_A1}}
{{DISPLAYTITLE:VDW_A1}}
{{TAGDEF|VDW_A1|[real]}}
{{TAGDEF|VDW_A1|[real]}}
{{DEF|VDW_A1|1.0|for [[DFT-D3]] with the BJ damping}}
{{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>.
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]] and DFT-D4 methods.
{{TAG|VDW_A1}} sets the damping function parameter <math>a_{1}</math> in the [[DFT-D3]] (BJ damping function) and DFT-D4 methods.


== Related tags and articles ==
== Related tags and articles ==

Revision as of 11:27, 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 .


VDW_A1 sets the damping function parameter in the DFT-D3 (BJ damping function) and DFT-D4 methods.

Related tags and articles

DFT-D3

Examples that use this tag