CFOUR_FD_USEGROUP

In finite difference calculations using the FINDIF option, this keyword specifies the point group to be used in generating the symmetry-adapted vibrational coordinates. FULL (= 0) specifies the full molecular point group, COMP (= 1) specifies the Abelian subgroup used in the electronic structure calculation.

• Type: string

• Possible Values: FULL, COMP

• Default: FULL