manual   quickstart   instguide   update   basis

Next: 18.8 Localization thresholds (THRESH) Up: 18.7 Ordering of localized Previous: 18.7.4 Selecting the fock   Contents   Index   PDF

18.7.5 Selecting a density matrix (DENSITY)


This specifies a record holding a density matrix for construction of a fock operator used for ordering the orbitals. This can be used if no fock operator is available, and has only an effect for MCSCF localizations. By default, the (state averaged) MCSCF density is used. A state specific density matrix can be selected using specifications as described in section 4.11. 2017-12-17