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20.6.5 Saving the density matrix

The first order density matrix in AO basis is written automatically to the dump record specified on the ORBITAL card (default 2140.2). If no ORBITAL card is present, but a record is specified on a NATORB, CANORB, or LOCORB card, the densities are saved to the first record occurring in the input. In a state-averaged the SA-density, as well the individual state densities are saved. See section 2.16 for information about how to recover any of these densities for use in later programs.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002