FREEZE_COREΒΆ
Specifies how many core orbitals to freeze in correlated computations. TRUE will default to freezing the standard default number of core orbitals. For heavier elements, there can be some ambiguity in how many core orbitals to freeze; in such cases, SMALL picks the most conservative standard setting (freezes fewer orbitals), and LARGE picks the least conservative standard setting (freezes more orbitals). More precise control over the number of frozen orbitals can be attained by using the keywords NUM_FROZEN_DOCC (gives the total number of orbitals to freeze, program picks the lowest-energy orbitals) or FROZEN_DOCC (gives the number of orbitals to freeze per irreducible representation)
- Type: string
- Possible Values: FALSE, TRUE, SMALL, LARGE
- Default: FALSE