#
# input file for test12
#
# N2 molden SCF, (3-sigma-g)^-1 photoionization
#
  LMax   22     # maximum l to be used for wave functions
  LMaxI  120
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential

  ScatEng  10.0   # list of scattering energies

 InitSym 'SG'      # Initial state symmetry
 InitSpinDeg 1     # Initial state spin degeneracy
 OrbOccInit 2 2 2 2 2 4  # Orbital occupation of initial state
 OrbOcc     2 2 2 2 1 4  # occupation of the orbital groups of target
 SpinDeg 1         # Spin degeneracy of the total scattering state (=1 singlet)
 TargSym 'SG'      # Symmetry of the target state
 TargSpinDeg 2     # Target spin degeneracy
 IPot 15.581    # ionization potentail

EpsAsym 3 52.91772083
Convert '$pe/tests/test12.g03' 'g03'
GetBlms
ExpOrb

 ScatSym     'SU'  # Scattering symmetry of total final state
 ScatContSym 'SU'  # Scattering symmetry of continuum electron

FileName 'MatrixElements' 'test12SU.idy' 'REWIND'
GenFormPhIon
DipoleOp
GetPot
PhIon
GetCro
#
 ScatSym     'PU'  # Scattering symmetry of total final state
 ScatContSym 'PU'  # Scattering symmetry of continuum electron

FileName 'MatrixElements' 'test12PU.idy' 'REWIND'
GenFormPhIon
DipoleOp
GetPot
PhIon
GetCro
#
GetCro 'test12PU.idy' 'test12SU.idy'
#
#