
NAT_ORBS_T3ΒΆ
Do natural orbitals to speed up evaluation of the triples contribution to dispersion by truncating the virtual orbital space? Recommended true for all SAPT computations.
- Type: boolean
- Default: false
Do natural orbitals to speed up evaluation of the triples contribution to dispersion by truncating the virtual orbital space? Recommended true for all SAPT computations.
- Type: boolean
- Default: false