VDW_S6
(Redirected from VDW SCALING)
VDW_S6 = [real]
Description: VDW_S6 sets a parameter in the damping function of van der Waals methods.
VDW_S6 allows to set the value of a parameter in the following methods:
- Scaling [math]\displaystyle{ s_{6} }[/math] of the dipole-dipole dispersion of the DFT-D2 (IVDW=1), DFT-D3, DFT-D4 (IVDW=13), DFT-ulg (IVDW=3), and Tkatchenko-Scheffler methods (IVDW=2 and 21). VDW_S6 can be used for both implementations of DFT-D3: DFT-D3 (IVDW=11 or 12) and simple-DFT-D3 (IVDW=15).
- Steepness factor [math]\displaystyle{ a_0 }[/math] in DDsC (IVDW=4).
| Mind: The setting of [math]\displaystyle{ s_{6} }[/math] with VDW_S6 when IVDW=11 or 12 (VASP implementation of DFT-D3) is possible since VASP.6.6.0. |
Related tags and articles
IVDW, VDW_S8, DFT-D2, DFT-D3, simple-DFT-D3, DFT-D4, DFT-ulg, Tkatchenko-Scheffler method, Tkatchenko-Scheffler method with iterative Hirshfeld partitioning, DDsC