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32.9.3 CASSCF-projected structure coefficients

(NO)CASPROJ;

With this keyword the structure coefficients are picked from the transformed CASSCF CI vector, leaving only the orbital variational parameters. For further details see the bibliography. This option may be useful to aid convergence.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002