# # input file for test04 # # electron scattering from SiH4 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 VCorr 'PZ' AsyPol 0.15 # SwitchD, distance where switching function is down to 0.1 1 # nterm, number of terms needed to define asymptotic potential 1 # center for polarization term 1 is for C atom 1 # ittyp type of polarization term, = 1 for spherically symmetric # = 2 for reading in the full tensor 30.40 # value of the spherical polarizability 3 # icrtyp, flag to determine where r match is, 3 for second crossing # or at nearest approach 0 # ilntyp, flag to determine what matching line is used, 0 - use # l = 0 radial function as matching function FegeEng 13.29 # Energy correction (in eV) used in the fege potential ScatContSym 'A1' # Scattering symmetry LMaxK 10 # Maximum l in the K matirx ScatEng 0.5 10.0 15.0 # list of scattering energies GrnType 1 Convert '$pt/test04.g09' 'gaussian' GetBlms ExpOrb GetPot Scat TotalCrossSection