43.2 Defining the CASSCF wavefunction

CASVB is interfaced with the determinant part of MULTI (i.e., CONFIG,CSF; must not be specified). When this program is run prior to CASVB, the CI vector must dumped using one of the directives SAVE, NATORB, CANONICAL, or LOCALI (see section 19.5.5). The three latter are recommended.


molpro@molpro.net 2019-01-19