# # input file for test28 # # positron scattering from C2H2 in Sigma-g symmetry # LMax 15 # maximum l to be used for wave functions LMaxK 6 EMax 50.0 # EMax, maximum asymptotic energy in eV EngForm 0 0 # no charge on the molecule and all orbitals are doubly occupied VCorr 'POS-FIT' # Polarization potential PosFitL 25 PosFile '$pt/test28.dat' PosGridTol 1.E-06 PosPlot 2 0.0 0.0 90.0 0.0 EngForm 0 0 Convert '$pt/test28.g03' 'gaussian' GetBlms ExpOrb GetPot ScatContSym 'SG' # Scattering symmetry ScatPos 0.1 0.5 1.0 TotalCrossSection