CFOUR_FOCK

This option is used to control the algorithm used for construction of the Fock matrix in SCF calculations. PK (=0) uses the PK-supermatrix approach while AO (=1) constructs the matrix directly from the basis function integrals. In general, PK is somewhat faster, but results in considerable use of disk space when out-of-core algorithms are required. (Default: FOCK).

• Type: string

• Possible Values: PK, AO

• Default: No Default