# # input file for test11 # # electron scattering from N2 molden SCF, scattering from N2+ ground state # LMax 22 # 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 OrbOcc 2 2 2 2 1 4 # occupation of the orbital groups of target TargSym 'SG' # Symmetry of the target state TargSpinDeg 2 # Target spin degeneracy SpinDeg 1 # Spin degeneracy of the total scattering state (=1 singlet) ScatSym 'SU' # Scattering symmetry of total final state ScatContSym 'SU' # Scattering symmetry of the continuum orbital LMaxK 10 # Maximum l in the K matirx ScatEng 10.0 # list of scattering energies Convert '$pt/test11.molden2012' 'molden' GetBlms ExpOrb GenFormScat GetPot GrnType 1 Scat