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20.2.4 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 4.11. Note that the IGNORE_ERROR option can be used to force MPn or triples calculations with non-canonical orbitals.

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


molpro@molpro.net 2017-12-16