$SODET group (required if CITYP=FSOCI)
This group controls a full second order CI calculation
using determinants (see also the keyword SOCI in $CIDRT).
Most of the characteristics of the active space (such as
NCORE, NACT, NELS) must be given by $CIDET input, as a
preliminary full CI according to $CIDET will be made. The
FCI states will then used as the initial guess for the full
second order CI. A few additional parameters may be given
in this group, but many runs will not need to give any of
these.
NEXT = the number of external orbitals to be included.
The default is the entire virtual MO space.
NSOST = the number of states to be found in the SOCI.
The default is copied from NSTATE in $CIDET.
MAXPSO = maximum expansion space size used in the SOCI.
The default is copied from MXXPAN in $CIDET.
ORBS = MOS means use the MCSCF orbitals, which should be
allowed to undergo canonicalization (see the
CANONC keyword in $MCSCF), or the input $VEC
group in case SCFTYP=NONE. (default)
NOS means to instead use the natural orbitals of
the MCSCF.
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Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.