cat <<eoi >inp.dat # # input file for test03 # # electron scattering from N2 molden SCF, DCS calculation # 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 12.0 # maximum R in inner grid EMax 50.0 # EMax, maximum asymptotic energy in eV EngForm # Energy formulas 0 0 # charge, formula type FegeEng 13.0 # Energy correction (in eV) used in the fege potential ScatContSym 'SG' # Scattering symmetry LMaxK 4 # Maximum l in the K matirx ScatEng 3.0 4.0 5.0 6.0 Convert '$pe/tests/test03.molden' 'molden' GetBlms ExpOrb GetPot GrnType 1 ScatContSym 'SG' # Scattering symmetry Scat GrnType 0 ScatContSym 'SU' # Scattering symmetry Scat ScatContSym 'PG' # Scattering symmetry Scat ScatContSym 'PU' # Scattering symmetry Scat ScatContSym 'DG' # Scattering symmetry Scat ScatContSym 'DU' # Scattering symmetry Scat ScatContSym 'FG' # Scattering symmetry Scat ScatContSym 'FU' # Scattering symmetry Scat ScatContSym 'GG' # Scattering symmetry Scat ScatContSym 'GU' # Scattering symmetry Scat ScatContSym 'A2G' # Scattering symmetry Scat ScatContSym 'A2U' # Scattering symmetry Scat ScatContSym 'B1G' # Scattering symmetry Scat ScatContSym 'B1U' # Scattering symmetry Scat ScatContSym 'B2G' # Scattering symmetry Scat ScatContSym 'B2U' # Scattering symmetry Scat TotalCrossSection EDCS eoi