- a)
- For generating representations of CASSCF wavefunctions, the program
is invoked by the command
`CASVB`. For variational optimization of wavefunctions it is normally invoked inside*MULTI*by the sub-command`VB`(see 19.10). - b)
- Definition of the CASSCF wavefunction (not generally required).
- c)
- Definition of the valence bond wavefunction.
- d)
- Recovery and/or storage of orbitals and vectors.
- e)
- Manual input of starting guess (optional).
- g)
- Optimization control.
- f)
- Definition of molecular symmetry and possible constraints on the VB wavefunction.
- h)
- Wavefunction analysis.
- i)
- Further general options.

molpro@molpro.net 2019-03-25