VDW_A2
VDW_A2 = [real]
Description: VDW_A2 sets the offset [math]\displaystyle{ a_{2} }[/math] of the critical radii in the rational Becke-Johnson damping function of the DFT-D3 and DFT-D4 methods.
VDW_A2 allows to set the offset [math]\displaystyle{ a_{2} }[/math] of the critical radii in the rational Becke-Johnson damping function:
- DFT-D3 (IVDW=12).
- simple-DFT-D3 (IVDW=15 with SDFTD3_DAMPING=rational, mrational, or optimizedpower).
- DFT-D4 (IVDW=13).
Related tags and articles
IVDW, VDW_A1, DFT-D3, simple-DFT-D3, DFT-D4