#
# input file for test16
#
# electron scattering from CH4 using only local potential
#
LMax 20 # maximum l to be used for wave functions
EMax 50.0 # EMax, maximum asymptotic energy in eV
EngForm # Energy formulas
0 2 # charge, formula type
3 # number of terms in the formulas
2.0 -1.0 1 # orbital occupation and coefficient for the K operators
2.0 -1.0 1
2.0 -1.0 1
VCorr 'PZ'
AsyPol
0.25 # 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
17.50 # 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 13.0 # Energy correction (in eV) used in the fege potential
LMaxK 10 # Maximum l in the K matirx
ScatEng # list of scattering energies
0.1 0.5 2.0 10.0 20.0
IterMax -1
Convert '$pt/test16.g03' 'gaussian'
GetBlms
ExpOrb
GetPot
ScatContSym 'A1' # Scattering symmetry
Scat
#
ScatContSym 'A2' # Scattering symmetry
Scat
#
ScatContSym 'E' # Scattering symmetry
Scat
#
ScatContSym 'T1' # Scattering symmetry
Scat
#
ScatContSym 'T2' # Scattering symmetry
Scat
TotalCrossSection