Next: 20.6.2 Defining the core Up: 20.6 Selecting the orbital Previous: 20.6 Selecting the orbital

20.6.1 Defining the occupied space (OCC)

OCC, $o_1$, $o_2 \ldots$

defines the highest orbital $o_i$ in each symmetry $i$ to be localized.


molpro@molpro.net
Feb 26, 2003