PSI4 Project Logo

FREEZE_COREΒΆ

The scope of core orbitals to freeze in evaluation of SAPT E_{disp}^{(20)} and E_{exch-disp}^{(20)} terms. Recommended true for all SAPT computations

  • Type: string
  • Possible Values: FALSE, TRUE, SMALL, LARGE
  • Default: FALSE

Previous topic

E_CONVERGENCE

Next topic

INTS_TOLERANCE

This Page