VDW RADIUS: Difference between revisions

Latest revision as of 11:15, 2 March 2026

Description: VDW_RADIUS (in Å) sets the two-body interaction cutoff in van der Waals methods.

VDW_RADIUS (in Å) allows to set the two-body interaction cutoff for the DFT-D2, DFT-D3 (DFT-D3 and simple-DFT-D3 implementations), DFT-D4, DFT-ulg, DDsC, and Tkatchenko-Scheffler methods.

Mind: Available for the DFT-D4 and simple-DFT-D3 packages since VASP.6.6.0.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:VDW_RADIUS}}
 {{TAGDEF|VDW_RADIUS|[real]}}
+{{DEF|VDW_RADIUS|50| if {{TAG|IVDW}}{{=}}1, 2, 3, 4, or 21|50.20|if {{TAG|IVDW}}{{=}}11, 12, or 15|31.75|if {{TAG|IVDW}}{{=}}13}}
-Description: {{TAG|VDW_RADIUS}} defines the cutoff radius (in <math>\AA</math>) for the pair interactions used in the {{TAG|DFT-D2}}, {{TAG|DFT-D3}} or  [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] method.
+Description: {{TAG|VDW_RADIUS}} (in Å) sets the two-body interaction cutoff in van der Waals methods.
 ----
+{{TAG|VDW_RADIUS}} (in Å) allows to set the two-body interaction cutoff for the [[DFT-D2]], DFT-D3 ([[DFT-D3]] and [[simple-DFT-D3]] implementations), [[DFT-D4]], [[DFT-ulg]], [[DDsC_dispersion_correction|DDsC]], and Tkatchenko-Scheffler methods.
+{{NB|mind|Available for the [[DFT-D4]] and [[simple-DFT-D3]] packages since VASP.6.6.0.}}
 == Related tags and articles ==
-{{TAG|DFT-D2}},
+{{TAG|IVDW}},
-{{TAG|DFT-D3}},
+{{TAG|VDW_CNRADIUS}},
-[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]
+[[DFT-D2]],
+[[DFT-D3]],
+[[simple-DFT-D3]],
+[[DFT-D4]],
+[[DFT-ulg]],
+[[DDsC_dispersion_correction|DDsC]],
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]],
+[[Tkatchenko-Scheffler method with iterative Hirshfeld partitioning]]
 {{sc|VDW_RADIUS|Examples|Examples that use this tag}}