Next: 28.8 Natural orbitals
Up: 28 THE CLOSED SHELL
Previous: 28.6.2 Single-reference correlation treatments
28.7 Saving the density matrix
DM,record.ifil];
The effective first order density matrix is computed an stored in record
record on file ifil. This currently works for closed-shell
MP2, QCISD, and CCSD. See also NATORB.
molpro@molpro.net
Oct 10, 2007