cat <<eoi >inp.dat # # inpute file for test20 # # electron scattering from C6H6 # LMax 25 # maximum l to be used for wave functions LMaxA 15 # maximum l included at large r MMax 3 # maximum m about unique axes at high l RMax 10.5 # maximum R in inner grid EMax 60.0 # EMax, maximum asymptotic energy in eV EngForm # Energy formulas 0 0 # charge, formula type VCorr 'PZ' AsyPol 0.25 # SwitchD, distance where switching function is down to 0.1 6 # 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 11.85 # value of the spherical polarizability 2 # 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 11.85 # value of the spherical polarizability 3 # 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 11.85 # value of the spherical polarizability 4 # 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 11.85 # value of the spherical polarizability 5 # 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 11.85 # value of the spherical polarizability 6 # 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 11.85 # 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 ScatEng 30. # list of scattering energies FegeEng 9.25 # Energy correction used in the fege potential ScatContSym 'A1G' # Scattering symmetry LMaxK 10 # Maximum l in the K matirx Convert '$pe/tests/test20.g03' 'g03' GetBlms ExpOrb GetPot Scat eoi