CFOUR_SUBGROUP

Specifies an Abelian subgroup to be used in a calculation. Acceptable arguments are DEFAULT (=0); C1 (= 1); C2 (= 2); CS (= 3); CI (= 4); C2V (= 5); C2H (= 6); D2 (= 7) and D2H (= 8). Use of C1 is of course equivalent to setting CFOUR_SYMMETRY =OFF in the input. The DEFAULT option (which is the default) uses the highest order Abelian subgroup.

• Type: string

• Possible Values: DEFAULT, C1, C2, CS, CI, C2V, C2H, D2, D2H, OFF

• Default: DEFAULT