#
# input file for test08
#
# Photodetachment from F2-
#
LMax  60     # maximum l to be used for wave functions
EMax 100.
PrintFlag 0   # no extra printing
FegeEng 5.   # Energy correction used in the fege potential (9.89 eV from CRC)
LMaxK   12     # Maximum l in the K matirx
OrbOccInit
 2 2 2 2 4 4 2 1
OrbOcc        # occupation of the orbital groups of target
 2 2 2 2 4 4 2 0
SpinDeg 2         # Spin degeneracy of the total scattering state (=1 singlet)
TargSym 'SG'      # Symmetry of the target state
TargSpinDeg 1     # Target spin degeneracy
InitSym 'SU'      # Initial state symmetry
InitSpinDeg 2     # Initial state spin degeneracy
IPot 3.1    # IPot, ionization potential, Koopmans

Convert '$pt/test08.molden2012' 'molden'
GetBlms
#
ScatEng 1. 40.
ExpOrb

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

GenFormPhIon
DipoleOp
GetPot
FileName 'MatrixElements' 'test08SG.dat' 'REWIND'
PhIon
GetCro
FileName 'MatrixElements' 'test08DPW.dat' 'REWIND'
CalcInt 'DipoleOp' 1 'PlaneWv' 12
FileName 'MatrixElements' 'test08PWSG.dat' 'REWIND'
PhIonPlaneWv
GetCro

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

GenFormPhIon
DipoleOp
GetPot
FileName 'MatrixElements' 'test08PG.dat' 'REWIND'
PhIon
GetCro
FileName 'MatrixElements' 'test08DPW.dat' 'APPEND'
CalcInt 'DipoleOp' 1 'PlaneWv' 12
FileName 'MatrixElements' 'test08PWPG.dat' 'REWIND'
PhIonPlaneWv
GetCro
GetCro 'test08SG.dat' 'test08PG.dat'
GetCro 'test08PWSG.dat' 'test08PWPG.dat'