# # input file for test25 # # electron scattering from H2O in A1 symmetry # LMax 15 # maximum l to be used for wave functions EMax 50.0 # EMax, maximum asymptotic energy in eV EngForm # Energy formulas 0 0 # charge, formula type VCorr 'PZ' FegeEng 13.0 # Energy correction (in eV) used in the fege potential ScatContSym 'A1' # Scattering symmetry LMaxK 3 # Maximum l in the K matirx ScatEng 20.0 # list of scattering energies (in eV) PCutRd 1.0e-8 GrnType 1 # do the scattering with the center of mass at the origin Convert '$pe/tests/test25.g03' 'g03' GetBlms ExpOrb GetPot Scat # do the scattering with the O at the origin NECenter 2 Convert '$pe/tests/test25.g03' 'g03' GetBlms ExpOrb GetPot Scat Exit