#
# input file for test24
#
# Electron scattering from SF6 with orthogonality constraints
#
 LMax   15     # maximum l to be used for wave functions
 LMaxI  40     # maximum l value used to determine numerical angular grids
 EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
   0 2
    16
   2.0 -1.0 1   # orbital occupation and coefficient for the K operators
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
   2.0 -1.0 1
  VCorr 'PZ'
  AsyPol
 0.15   # SwitchD, distance where switching function is down to 0.1
 7     # 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
16.198 # 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
 4.656 # 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
 4.656 # 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
 4.656 # 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
 4.656 # 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
 4.656 # value of the spherical polarizability
 7     # 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
 4.656 # 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 1.0      # list of scattering energies
 FegeEng 13.29   # Energy correction used in the fege potential
 LMaxK   10    # Maximum l in the K matirx
#
Convert '$pe/tests/test24.g03' 'g03'
GetBlms
ExpOrb
GetPot
 ScatContSym 'A1G'  # Scattering symmetry
Scat
 ScatContSym 'T1G'  # Scattering symmetry
Scat
GrnType  1     # type of Green function (0 -> K matrix, 1 -> T matrix)
 ScatContSym 'A1G'  # Scattering symmetry
Scat
 ScatContSym 'T1G'  # Scattering symmetry
Scat