# # input file for test18 # # electron scattering from C6F3H3 # LMax 25 # maximum l to be used for wave functions EMax 60.0 # EMax, maximum asymptotic energy in eV EngForm # Energy formulas 0 0 # charge, formula type VCorr 'PZ' ScatEng 30. # list of scattering energies FegeEng 9.5 # Energy correction used in the fege potential ScatContSym 'A1PP' # Scattering symmetry LMaxK 10 # Maximum l in the K matirx Convert '$pt/test18.molden2012' 'molden' GetBlms ExpOrb GetPot Scat