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Next: 16.2.3 Specifying open-shell orbitals Up: 16.2 Defining the wavefunction Previous: 16.2.1 Defining the number   Contents   Index   PDF

16.2.2 Specifying closed-shell orbitals

CLOSED, $n_1,n_2,\ldots,n_8$

This optional card can be used in open-shell calculations to specify the number of closed-shell orbitals in each symmetry. This makes possible to force specific states in the absence of an OPEN card.


molpro@molpro.net 2017-12-12