#
# inpute file for test17
#
# electron scattering from C6H6
#
LMax 25 # maximum l to be used for wave functions
EMax 60.0 # EMax, maximum asymptotic energy in eV
EngForm # Energy formulas
0 0 # charge, formula type
VCorr 'PZ'
AsyPol
0.15 # 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 '$pt/test17.g03' 'gaussian'
GetBlms
ExpOrb
GetPot
Scat