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Next: 38.3.3 Populations of basis Up: 38.3 Mulliken population analysis Previous: 38.3.1 Calling the population   Contents   Index   PDF

38.3.2 Defining the density matrix (DENSITY)


Take density matrix to be analysed from record record on file file. Density matrices for specific states can be selected using specifications, as explained in section 4.11. Note that the density matrices are stored in the same record as the orbitals. 2018-06-20