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21.2.4 Defining the orbitals

ORBIT,name.file,[specifications];

name.file specifies the record from which orbitals are read. Optionally, various specifications can be given to select specific orbitals if name.file contains more than one orbital set. For details see section 2.16.

The default is the set of orbitals from the last SCF, MCSCF or CI calculation.


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