#
# input file for test27
#
# positron scattering from CH4 in A1 symmetry
#
LMax 15 # maximum l to be used for wave functions
EMax 50.0 # EMax, maximum asymptotic energy in eV
EngForm 0 0 # no charge on the molecule and all orbitals are doubly occupied
VCorr 'BN'
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
ScatContSym 'A1' # Scattering symmetry
LMaxK 3 # Maximum l in the K matirx
Convert '$pt/test27.g03' 'gaussian'
GetBlms
ExpOrb
GetPot
GrnType 1
ScatPos 0.1 0.5 1.0
TotalCrossSection