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38.2.2 Specifying the density matrix (DENSITY)

DENSITY,record.file[,specifications]

The density matrix to be analysed is that found in record record on file file. If omitted, record.file defaults to current orbital record. If specified, DENSITY must appear first in the input. Density matrices for specific states can be selected using specifications, as explained in section 4.11.


molpro@molpro.net 2017-12-16