OCC_PERCENTAGE


Cutoff for occupation of MP2 virtual NOs in FNO-QCISD/CCSD(T). The number of virtual NOs is chosen so the occupation of the truncated virtual space is OCC_PERCENTAGE percent of occupation of the original MP2 virtual space. This option is only used if NAT_ORBS = true. This keyword overrides OCC_TOLERANCE

  • Type: double
  • Default: 99.0