55.3.1 Options

The following options are available:
VSCFMODALS=n
Instead of using VMCSCF modals (default), VSCF modals will be used (once a VSCF calculation has been performed prior to the VMCSCF calculation), i.e. VSCFMODALS=1.

Most of the keywords as described for the VCI program are also valid for the VMRCI program, i.e. TYPE, CITYPE, LEVEX, CIMAX, NDIM, NBAS, DIAG, VAM, COMBI, DIPOLE, CONT, ANALYZE, MPG and INFO.



molpro@molpro.net 2018-09-21