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FIXORB,i
, i
,...;
This command freezes the orbitals specified in the list
i, i,... to that of the starting guess. Alternatively the
special keywords ALL or NONE may be used. These orbitals
are eliminated from the optimization procedure, but will still be
normalized and symmetry-adapted according to any ORBREL
keywords given.
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000