# # input file for test36 # # CH4, T2^-1 photoionization, using output from GAMESS # LMax 15 # maximum l to be used for wave functions EMax 50.0 # EMax, maximum asymptotic energy in eV FegeEng 13.0 # Energy correction (in eV) used in the fege potential ScatEng 15.8 # list of scattering energies InitSym 'A1' # Initial state symmetry InitSpinDeg 1 # Initial state spin degeneracy OrbOccInit 2 2 6 # Orbital occupation of initial state OrbOcc 2 2 5 # occupation of the orbital groups of target SpinDeg 1 # Spin degeneracy of the total scattering state (=1 singlet) TargSym 'T2' # Symmetry of the target state TargSpinDeg 2 # Target spin degeneracy IPot 14.2 # ionization potentail Convert '$pt/test36.gms.dat' 'gamess' GetBlms ExpOrb ScatSym 'T2' # Scattering symmetry of total final state ScatContSym 'T1' # Scattering symmetry of continuum electron GenFormPhIon DipoleOp GetPot PhIon GetCro Exit