CFOUR_CALC_LEVEL


Defines the level of calculation to be performed. Psi4 Interface: Keyword set from argument of computation command: CCSD if energy('c4-ccsd'), etc. See Energy (CFOUR) and Gradient (CFOUR). for all available.

  • Type: string
  • Possible Values: SCF, HF, MBPT(2), MP2, MBPT(3), MP3, SDQ-MBPT(4), SDQ-MP4, MBPT(4), MP4, CCD, CCSD, CCSD(T), CCSDT-1, CCSDT-1b, CCSDT-2, CCSDT-3, CCSDT-4, CCSDT, CC2, CC3, QCISD, QCISD(T), CID, CISD, UCC(4), B-CCD
  • Default: SCF