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20.2.9 Explicitly specifying reference configurations

CON, $n_1,n_2,n_3,n_4,\ldots$

Specifies an orbital configuration to be included in the reference function. $n_1$, $n_2$ etc. are the occupation numbers of the active orbitals (0,1,or 2). Any number of CON cards may follow each other, but they must all appear directly after a SELECT card.


molpro@molpro.net 2017-12-14