#
# input file for test10
#
# electron scattering from N2 molden SCF, search for the pi-g shape resonance
#
  LMax   15     # maximum l to be used for wave functions
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  EngForm      # Energy formulas
   0 0         # charge, formula type

  VCorr 'PZ'
  FegeEng 15.6   # Energy correction (in eV) used in the fege potential
  ScatContSym 'PG'  # Scattering symmetry
  DPotEng  2.3  # Energy (in eV) for the local exchange potential
  ResSearchEng
  1                   # nengrb - number of energy step regions
  0.25 0.25     # first energy and step (in eV)
   6.0          # final ending point, engrb(nengrb+1)
   5.44                 # eendzi, largest imaginary part
   1.088                # estpzi, imaginary energy step
Convert '$pe/tests/test10.molden' 'molden'
GetBlms
ExpOrb
GetPot
GetDPot
FileName 'PlotData' 'test10.dat' 'REWIND'
Label 'N2 pi-g'
ResSearch
FileName 'AWaveFun' 'test10AWaveFun.dat' 'REWIND'
FileName 'SWaveFun' 'test10SWaveFun.dat' 'REWIND'
ResWvFun 1
FileName 'ViewOrb' 'test10ViewOrb.dat' 'REWIND'
FileName 'ViewOrbGeom' 'test10ViewOrbGeom.dat' 'REWIND'
ViewOrbGrid
  0.0 0.0 0.0
  0.0 0.0 1.0
  1.0 0.0 0.0
  -2.5 2.5 0.1
  -2.0 2.0 0.1
  0.0 0.0 0.1
ViewOrb 'ResWvFun'
FileName 'ViewOrb' 'test10ViewDPot.dat' 'REWIND'
ViewOrb 'DPot'