#
# input file for test01
#
# electron 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      # Energy formulas
   0 1         # charge, formula type
   3           # number of terms in the formulas
   2.0 -1.0    # orbital occupation and coefficient for the K operators
   2.0 -1.0
   2.0 -1.0
  VCorr 'PZ'
  AsyPol
   0.15  # 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
  ScatContSym 'A1'  # Scattering symmetry
  LMaxK   4     # Maximum l in the K matirx

Convert '$pt/test01.molden2015' 'molden'
PrintBlm 4
GetBlms

SaveBlms 'test01Blms.dat'

ReadBlms 'test01Blms.dat'

ExpOrb
GetPot
Scat 0.0001 0.01 0.5
  ScatContSym 'A2'  # Scattering symmetry
Scat 0.0001 0.01 0.5
TotalCrossSection
LMaxK 3
TotalCrossSection
LMaxK 2
TotalCrossSection
LMaxK 1
TotalCrossSection