Print details of the working of CHARST. CHARST calculates the symmetry characters of the state functions, that is:

c = <Φ|Operator|Φ>

where Φ is a state function, that is, a linear combination of microstates, Ψ. Each microstate is an antisymmetrized product of molecular orbitals, and each M.O. is a linear combination of atomic orbitals, which, in turn, are represented by Slater orbitals. Only information on the first state is printed; the quantities printed are:

Symmetry operation in CHARST: the 3x3 Euler rotation matrix representing the operation. This is a rotation, mirror plane, or a product of the two.

Transform of M.O.s: The result of the operation on the M.O.s The effect of the operation is to convert each M.O. of the active space into a linear combination of the M.O.s of the active space.

State Transform for State *i* under Operation *j*: As the name
suggests, this is the result of operating on state |Φ_{i}>
with operator |Operator_{j}, i.e.:

|Operator_{j}|Φ* _{i}*>

The state is then converted into a linear combination of states.

For `CHARST` to work `DEBUG` must also
be present. Adding `SYMOIR` will give the
characters of the operations for all states.

See States for more information