cat <<eoi >inp.dat # # input file for test30 # # electron scattering from H2O in A1 symmetry # LMax 15 # maximum l to be used for wave functions LMaxA 12 # maximum l included at large r MMax 3 # maximum m about unique axes at high l RMax 8.5 # maximum R in inner grid 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 '$pe/tests/test30.g03' 'g03' GetBlms ExpOrb GetPot Scat # do the scattering with the O at the origin ECenter 0.0 0.0 0.116130 Convert '$pe/tests/test30.g03' 'g03' GetBlms ExpOrb GetPot Scat Exit eoi