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43.10.2 The IRREPS keyword

IRREPS,i$_1$, i$_2$,...;

The list i$_1$, i$_2$,... specifies which irreducible representations (as defined in the CASSCF wavefunction) are antisymmetric with respect to the label operation. If an irreducible representation is not otherwise specified it is assumed to be symmetric under the symmetry operation.


molpro@molpro.net 2017-12-12