#
# input file for test13
#
# electron scattering from N2 molden SCF, DCS calculation
#
  LMax   15     # maximum l to be used for wave functions
  LMaxA  10     # set larger than default to accomodate LMaxK in second part of calculation
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
   0 0         # charge, formula type
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential
  ScatContSym 'SG'  # Scattering symmetry
  LMaxK    4     # Maximum l in the K matirx
  ScatEng 3.0 4.0 5.0 6.0
Convert '$pt/test13.molden2012' 'molden'
GetBlms
ExpOrb
GetPot
FileName 'MatrixElements' 'test13se.dat' 'REWIND'
GrnType 1
  ScatContSym 'SG'  # Scattering symmetry
Scat
  ScatContSym 'SU'  # Scattering symmetry
Scat
  ScatContSym 'PG'  # Scattering symmetry
Scat
  ScatContSym 'PU'  # Scattering symmetry
Scat
  ScatContSym 'DG'  # Scattering symmetry
Scat
  ScatContSym 'DU'  # Scattering symmetry
Scat
  ScatContSym 'FG'  # Scattering symmetry
Scat
  ScatContSym 'FU'  # Scattering symmetry
Scat
  ScatContSym 'GG'  # Scattering symmetry
Scat
  ScatContSym 'GU'  # Scattering symmetry
Scat
  ScatContSym 'A2G' # Scattering symmetry
Scat
  ScatContSym 'A2U' # Scattering symmetry
Scat
  ScatContSym 'B1G' # Scattering symmetry
Scat
  ScatContSym 'B1U' # Scattering symmetry
Scat
  ScatContSym 'B2G' # Scattering symmetry
Scat
  ScatContSym 'B2U' # Scattering symmetry
Scat
FileName 'MatrixElements' 'test13loc.dat' 'REWIND'
  LMaxK 10           # do higher partial wave with just the local potential
  IterMax -1
  ScatContSym 'SG'  # Scattering symmetry
Scat
  ScatContSym 'SU'  # Scattering symmetry
Scat
  ScatContSym 'PG'  # Scattering symmetry
Scat
  ScatContSym 'PU'  # Scattering symmetry
Scat
  ScatContSym 'DG'  # Scattering symmetry
Scat
  ScatContSym 'DU'  # Scattering symmetry
Scat
  ScatContSym 'FG'  # Scattering symmetry
Scat
  ScatContSym 'FU'  # Scattering symmetry
Scat
  ScatContSym 'GG'  # Scattering symmetry
Scat
  ScatContSym 'GU'  # Scattering symmetry
Scat
  ScatContSym 'A2G' # Scattering symmetry
Scat
  ScatContSym 'A2U' # Scattering symmetry
Scat
  ScatContSym 'B1G' # Scattering symmetry
Scat
  ScatContSym 'B1U' # Scattering symmetry
Scat
  ScatContSym 'B2G' # Scattering symmetry
Scat
  ScatContSym 'B2U' # Scattering symmetry
Scat
MatrixElementsCollect 'test13loc.dat'
MatrixElementsCombine 'test13se.dat'
TotalCrossSection
EDCS