manual   quickstart   instguide   update   basis

Next: 24.13 Natural orbitals Up: 24 THE CLOSED SHELL Previous: 24.11 Expectation values   Contents   Index   PDF

24.12 Saving the density matrix


The first-order density matrix in AO basis is stored in record record on file ifil. For details, see section 23.3. See also NATORB in section 24.13. 2018-07-18