# # 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' #