Empirical dispersion correction for DFT.[1]
Parameters are available (and automatically assigned) for following methods:
Method | Functional | Basis sets |
---|---|---|
DFT | TPSS | SVP, TZVP, 6-311++g(3df,3pd), def2-QZVP[2] |
PBE | TZVP, 6-311++g(3df,3pd) | |
B-LYP | SVP, TZVP, 6-311++g(3df,3pd), def2-QZVP[2] | |
B3-LYP | TZVP, 6-311++g(3df,3pd) | |
PM6[3] |