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# input file for test30
#
# N2 molden SCF, (3-sigma-g)^-1 resonance with CalcInt test
#
  LMax   22     # maximum l to be used for wave functions
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential

  ScatEng  10.0   # list of scattering energies

 InitSym 'SG'      # Initial state symmetry
 InitSpinDeg 1     # Initial state spin degeneracy
 OrbOccInit 2 2 2 2 2 4  # Orbital occupation of initial state
 OrbOcc     2 2 2 2 1 4  # occupation of the orbital groups of target
 SpinDeg 1         # Spin degeneracy of the total scattering state (=1 singlet)
 TargSym 'SG'      # Symmetry of the target state
 TargSpinDeg 2     # Target spin degeneracy
 IPot 15.581    # ionization potentail

Convert '$pe/tests/test30.molden' 'molden'
GetBlms
ExpOrb

 ScatSym     'SU'  # Scattering symmetry of total final state
 ScatContSym 'SU'  # Scattering symmetry of continuum electron

  DPotEng  15.  # Energy (in eV) for the local exchange potential
  ResSearchEng
  1                   # nengrb - number of energy step regions
  1. 0.5     # first energy and step (in eV)
   20.0          # final ending point, engrb(nengrb+1)
   10.                 # eendzi, largest imaginary part
   2.                # estpzi, imaginary energy step

GenFormPhIon
DipoleOp
GetPot
GetDPot
ResSearch
ResWvFun 1
CalcInt 'ExpOrb' 3 'ExpOrb' 3
CalcInt 'ExpOrb' 3 'ExpOrb' 5
CalcInt 'ExpOrb' 5 'ExpOrb' 5
CalcInt 'DipoleOp' 1 'ExpOrb' 4
CalcInt 'DipoleOp' 2 'ExpOrb' 4
CalcInt 'DipoleOp' 1 'ResWvFun' 1
CalcInt 'DipoleOp' 2 'ResWvFun' 1
CalcInt 'ExpOrb' 4 'ResWvFun' 1
PlaneWvCharge 1
ScatEng 10.
CalcInt 'DipoleOp' 1 'PlaneWv' 9
#
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