Next: 21.2.3 Specifying open-shell orbitals Up: 21.2 Defining the wavefunction Previous: 21.2.1 Defining the number

21.2.2 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
Oct 10, 2007