VDW CNRADIUS: Difference between revisions
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{{DISPLAYTITLE:VDW_CNRADIUS}} | {{DISPLAYTITLE:VDW_CNRADIUS}} | ||
{{TAGDEF|VDW_CNRADIUS|[real]|21. | {{TAGDEF|VDW_CNRADIUS|[real]}} | ||
{{DEF|VDW_CNRADIUS|21.17| if {{TAG|IVDW}}{{=}}11, 12 or 15|15.88|if {{TAG|IVDW}}{{=}}13}} | |||
Description: {{TAG|VDW_CNRADIUS}} | Description: {{TAG|VDW_CNRADIUS}} (in Å) sets the coordination number cutoff of the DFT-D3 and [[DFT-D4]] methods. | ||
---- | ---- | ||
{{TAG|VDW_CNRADIUS}} | |||
{{TAG|VDW_CNRADIUS}} (in Å) allows to set the coordination number cutoff for the DFT-D3 ([[DFT-D3]] and [[simple-DFT-D3]] implementations) and [[DFT-D4]] methods. | |||
{{NB|mind|Available for the [[DFT-D4]] and [[simple-DFT-D3]] packages since VASP.6.6.0.}} | |||
== Related tags and articles == | == Related tags and articles == | ||
[[DFT-D3]] | {{TAG|IVDW}}, | ||
{{TAG|VDW_RADIUS}}, | |||
[[DFT-D3]], | |||
[[simple-DFT-D3]], | |||
[[DFT-D4]] | |||
{{sc|VDW_CNRADIUS|Examples|Examples that use this tag}} | {{sc|VDW_CNRADIUS|Examples|Examples that use this tag}} | ||
Latest revision as of 11:16, 2 March 2026
VDW_CNRADIUS = [real]
| Default: VDW_CNRADIUS | = 21.17 | if IVDW=11, 12 or 15 |
| = 15.88 | if IVDW=13 |
Description: VDW_CNRADIUS (in Å) sets the coordination number cutoff of the DFT-D3 and DFT-D4 methods.
VDW_CNRADIUS (in Å) allows to set the coordination number cutoff for the DFT-D3 (DFT-D3 and simple-DFT-D3 implementations) and DFT-D4 methods.
| Mind: Available for the DFT-D4 and simple-DFT-D3 packages since VASP.6.6.0. |
Related tags and articles
IVDW, VDW_RADIUS, DFT-D3, simple-DFT-D3, DFT-D4