#
# input file for test38
#
# N2 molden SCF, (3-sigma-g)^-1 photoionization, with computed time delays
#
  TestOut
  LMax   22     # maximum l to be used for wave functions
  LMaxI  120
  EMax  50.0    # EMax, maximum asymptotic energy in eV
  FegeEng 13.0   # Energy correction (in eV) used in the fege potential

  ScatEngN 0.5 0.5 45   # 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

EpsAsym 3 52.91772083
Convert '$pt/test38.g03' 'gaussian'
GetBlms
ExpOrb

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

FileName 'MatrixElements' '$po/test38SU.idy' 'REWIND'
GenFormPhIon
DipoleOp
GetPot
PhIon
GetCro
#
 ScatSym     'PU'  # Scattering symmetry of total final state
 ScatContSym 'PU'  # Scattering symmetry of continuum electron

FileName 'MatrixElements' '$po/test38PU.idy' 'REWIND'
GenFormPhIon
DipoleOp
GetPot
PhIon
GetCro
#
GetCro '$po/test38SU.idy'
   '$po/test38PU.idy'
#
FileName 'PlotData' '$po/test38Data.dat'
FileName 'PlotData2D' '$po/test382DData.dat'
MFTimeDelayAngles
   1 0    # iLVGet, 1 for length, Mu0, 0 forlinearly polarized
   37  0. 180.  # angles for Theta Electron
   1  0. 0.    # angles for Phi Electron
   1  0. 0.    # angles for Theta Field
   1  0. 0.    # angles for Phi Field
MFTimeDelay  '$po/test38SU.idy'
   '$po/test38PU.idy'
#
FileName 'PlotData' '$po/test38DataFull.dat'
FileName 'PlotData2D' ''
MFTimeDelayAngles
   1 0    # iLVGet, 1 for length, Mu0, 0 forlinearly polarized
   37 0. 180.  # angles for Theta Electron
   73  0. 360.    # angles for Phi Electron
   37  0. 180.    # angles for Theta Field
   1  0. 0.    # angles for Phi Field
MFTimeDelay  '$po/test38SU.idy'
   '$po/test38PU.idy'
#
FileName 'PlotData' '$po/LFtest381DFull.dat'
FileName 'PlotData2D' '$po/LFtest382DFull.dat'
LFTimeDelayAngles
   1 0    # iLVGet, 1 for length, Mu0, 0 forlinearly polarized
   37  0. 180.    # angles for LF Theta Electron
   73  0. 360.    # angles for alpha
   37  0. 180.    # angles for beta
   73  0. 360.    # angles for gamma
LFTimeDelay  '$po/test38SU.idy'
   '$po/test38PU.idy'
#
FileName 'PlotData' '$po/LFtest381DFW25.dat'
FileName 'PlotData2D' '$po/LFtest382DFW25.dat'
LFTimeDelayAngles
   1 0    # iLVGet, 1 for length, Mu0, 0 forlinearly polarized
   37  0. 25.    # angles for LF Theta Electron
   73  0. 360.    # angles for alpha
   37  0. 180.    # angles for beta
   73  0. 360.    # angles for gamma
LFTimeDelay  '$po/test38SU.idy'
   '$po/test38PU.idy'
#