# # input file for test22 # # Photoionization of NO2 # LMax 15 LMaxI 40 # maximum l value used to determine numerical angular grids EMax 50.0 FegeEng 16.3 # Energy correction used in the fege potential InitSym 'A1' # Initial state symmetry InitSpinDeg 2 # Initial state spin degeneracy OrbOccInit 2 2 2 2 2 2 2 2 2 2 2 1 # Orbital occupation of initial state OrbOcc 2 2 2 2 2 2 2 2 2 2 1 1 # occupation of the orbital groups of target SpinDeg 2 # Spin degeneracy of the total scattering state (=1 singlet) TargSym 'A2' # Symmetry of the target state TargSpinDeg 3 # Target spin degeneracy ScatSym 'B2' # Scattering symmetry of total final state ScatContSym 'B1' # Scattering symmetry of continuum electron IPot 13.592 # ionization potentail Convert '$pt/test22.g03' 'gaussian' GetBlms ExpOrb GenFormPhIon DipoleOp GetPot PhIon 5.0 10.0 GetCro