Program SymProd
This program constructs spatial and spin adapted configuration state functions.
In a photoionization calculation it is used to construct the wave functions
for the inital (unionized) state and for the target (ionized) state coupled to the continuum electron.
Input data records
iumatrep, iuout
iprnfg
 Multiread data record:
norbg
For i = 1
to norbg
norbgdeg(i)
For j = 1
to norbgdeg(i)
OrbNum(j, i), OrbType(j, i), OrbSym(j, i)
OrbOcc(1:norbg)
ContSym
TotalSym
SDGN
TargSym
SDGNTarg
InitSym
 If
InitSym
not equal to ' '
then
SDGNInit
 If
InitSym
not equal to ' '
then
OrbOccInit(1:norbg)
Definition of the input variables

iumatrep
 input unit with matrix representations of the irreducible representations
of the point group of the molecule.

iuout
 output unit with the specifications of the computed space and spin adapted
symmetry functions.

iprnfg
 integer print flag.

norbg
 integer number of orbital groups. Each group is either a single nondegenerate
orbital or a set of degenerate orbitals.

norbgdeg(i)
 integer, the degree of degeneracy of this group of orbitals.
This is
= 1
if this group is a single nondegenerate orbital.

OrbNum(j, i)
 integer index for the orbital in the full list of orbitals
where each degenerate component is present.

OrbType(j, i)
 integer symmetry type number in the full list of symmetry types
including all degenerate components.

OrbSym(j, i)
 character string (LEN = 7) with the full symmetry name including
including the symmetry type and component number.

OrbOcc(1:norbg)
 integer vector containing the occupation of each orbital group in
the target state (i. e. the ion state in photoionization of a
neutral molecule).

ContSym
 character string (LEN = 5) containing the symmetry type (i. e. the irreducible
representation) of the continuum electron.

TotalSym
 character string (LEN = 5) containing the symmetry type (i. e. the irreducible
representation) of the total scattering state including the target and the
continuum electron.

SDGN
 integer, spin degeneracy of the total scattering state
(1 for singlet, 2 for doublet, etc.).

TargSym
 character string (LEN = 5) containing the symmetry type (i. e. the irreducible
representation) of the target state.

SDGNTarg
 integer, spin degeneracy of the total target state
(1 for singlet, 2 for doublet, etc.).

InitSym
 character string (LEN = 5) containing the symmetry type (i. e. the irreducible
representation) of the initial unionized state. If this character string is blank
then the program will not construct the configuration state function of the
initial state.

SDGNInit
 integer, spin degeneracy of the initial state
(1 for singlet, 2 for doublet, etc.).

OrbOccInit(1:norbg)
 integer vector containing the occupation of each orbital group in
the initial state.