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VDW_S9

From VASP Wiki

VDW_S9 = [real] 

Default: VDW_S9 = 1 if IVDW=13 (DFT-D4 package)
= 0 if IVDW=15 (simple DFT-D3 package)
= 0 if IVDW=11 or 12 (cannot be changed)

Description: VDW_S9 sets the contribution of the three-body term to the dispersion energy.


VDW_S9 allows to set the coefficient s9 that multiplies the three-body (Axilrod–Teller–Muto) term in the DFT-D3 and DFT-D4 methods implemented in the simple-DFT-D3 (IVDW=15) and DFT-D4 (IVDW=13) external packages, respectively.

Related tags and articles

IVDW, VDW_S6, VDW_S8, simple-DFT-D3, DFT-D4

Examples that use this tag