FREEZE_CORE_POLICY

NOTE: This is an experimental feature and subject to change! Specifies a custom frozen-core policy on a per-element basis. Input should be a list of integers representing the number of orbitals to freeze for each atomic number MINUS one (so H is 0, He is 1, etc). For example, to specify that elements H-Be should have 0 frozen orbitals, B-Mg should have 1, and Al should have 2, you would provide the input [0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 2]. Please make sure to fill in the list up to the highest atomic number included in any calculations. This option is only used if FREEZE_CORE is set to POLICY.

• Type: array

• Default: No Default