# Data exported on 2025-07-03 18:01:04.055793 ################################################################################ # NOTES: # ################################################################################ # PARAMETERS: # GlobalParameters: # spectroscopy = PED # algorithm = inversion # polarization = None # dichroism = None # spinpol = False # folder = ./calc # MuffintinParameters: # charge_relaxation = True # ionicity = {} # relativistic_mode = non_relativistic # radius_overlapping = 0.0 # interstitial_potential = 0.0 electron_volt # hydrogen_radius = 0.9 angstrom # TMatrixParameters: # potential = muffin_tin # exchange_correlation = hedin_lundqvist_complex # imaginery_part = 0.0 # lmax_mode = true_ke # lmaxt = 19 # tl_threshold = None # max_tl = None # PEDParameters: # level = 2p3/2 # final_state = 2 # spin_orbit = None # SourceParameters: # energy = 1253.6 electron_volt # theta = -55.0 degree # phi = 0.0 degree # DetectorParameters: # angular_acceptance = 0.0 degree # average_sampling = None # rotate = False # ScanParameters: # type = theta # theta = [-70.00 -69.00 -68.00 ... 68.00 69.00 70.00] degree # phi = [0.00] degree # kinetic_energy = 316.39999999999986 electron_volt # ke_array = [316.40] electron_volt # CalculationParameters: # RA_cutoff = 1 # scattering_order = 3 # renormalization_mode = None # renormalization_omega = (1+0j) # RA_cutoff_damping = 0 # spin_flip = False # integrals = all # path_filtering = None # off_cone_events = 1 # scattering_order_cutoff = 2 # distance = 10.0 angstrom # vibrational_damping = debye_waller # temperature = 293.0 kelvin # debye_temperature = 420.0 kelvin # use_debye_model = False # vibration_scaling = 1.2 # basis_functions = spherical # cutoff_factor = 0.01 # mean_free_path = SeahDench ################################################################################ # DATA: # theta phi energy cross_section direct_signal -7.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.9893800000e-02 3.4092400000e-02 -6.9000000000e+01 0.0000000000e+00 3.1640000000e+02 2.3917700000e-02 3.5842000000e-02 -6.8000000000e+01 0.0000000000e+00 3.1640000000e+02 2.9026000000e-02 3.7506200000e-02 -6.7000000000e+01 0.0000000000e+00 3.1640000000e+02 3.4548100000e-02 3.9089100000e-02 -6.6000000000e+01 0.0000000000e+00 3.1640000000e+02 3.9323600000e-02 4.0594500000e-02 -6.5000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1936600000e-02 4.2026600000e-02 -6.4000000000e+01 0.0000000000e+00 3.1640000000e+02 4.1254700000e-02 4.3389100000e-02 -6.3000000000e+01 0.0000000000e+00 3.1640000000e+02 3.7020500000e-02 4.4685900000e-02 -6.2000000000e+01 0.0000000000e+00 3.1640000000e+02 3.0135100000e-02 4.5920600000e-02 -6.1000000000e+01 0.0000000000e+00 3.1640000000e+02 2.2422100000e-02 4.7096600000e-02 -6.0000000000e+01 0.0000000000e+00 3.1640000000e+02 1.5965400000e-02 4.8217200000e-02 -5.9000000000e+01 0.0000000000e+00 3.1640000000e+02 1.2388600000e-02 4.9285400000e-02 -5.8000000000e+01 0.0000000000e+00 3.1640000000e+02 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