VDW_CNRADIUS
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