
SΒΆ
The value of the spin quantum number
is given by this option. The default is determined by the value of the multiplicity. This is used for two things: (1) determining the phase of the redundant half of the CI vector when the
component is used (i.e., MS0 =
TRUE
), and (2) making sure the guess vector has the desired value of(if CALC_S_SQUARED is
TRUE
and ICORE =1
).
- Type: double
- Default: 0.0