#
# input file for test29
#
# N2 molden SCF, (3-sigma-g)^-1 photoionization, find resonance
#
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

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 '$pt/test29.molden2012' 'molden'
GetBlms
ExpOrb

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

GenFormPhIon
DipoleOp
GetPot
DPotEng  10.0  # Energy (in eV) for the local exchange potential
ResSearchEng
  1                   # nengrb - number of energy step regions
  1. 1.     # first energy and step (in eV)
   20.          # final ending point, engrb(nengrb+1)
   10.                 # eendzi, largest imaginary part
   2.                # estpzi, imaginary energy step
GetDPot
ResSearch
#