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PDielec: John Kendrick & Andrew Burnett
PDielec: John Kendrick & Andrew Burnett

Software

  • Introduction
  • Installation
  • Version 10 migration
  • PDGui
    • Main Tab
    • Settings Tab
    • Scenario Tabs
    • Plotting Tab
    • Analysis Tab
    • 3D Viewer Tab
    • Fitter Tab
    • Viewer and Fitter Settings Views
    • PDGui Settings Reference
  • Other Software Components

Theory

  • Theory for Infrared Absorption in Powders
  • Theory for Single Crystal Infrared Optics
  • Theory for Powder Raman
  • Theory for Crystal Layer Raman
  • Phonon Analysis

Applications

  • Applications of Effective Medium Theory
  • Single Crystal Applications
  • Phonopy Examples
  • GaN: from powder Raman spectra to crystal modal pairs

API

  • API Reference
    • PDielec
      • PDielec.AbinitOutputReader
      • PDielec.AimsOutputReader
      • PDielec.Calculator
      • PDielec.CastepOutputReader
      • PDielec.Constants
      • PDielec.CrystalOutputReader
      • PDielec.DielectricFunction
      • PDielec.ExperimentOutputReader
      • PDielec.FiniteFieldOutputReader
      • PDielec.GTMcore
      • PDielec.GUI
        • PDielec.GUI.AnalysisTab
        • PDielec.GUI.App
        • PDielec.GUI.AzimuthalSweepWindow
        • PDielec.GUI.CrystalScenarioTab
        • PDielec.GUI.FitterTab
        • PDielec.GUI.MainTab
        • PDielec.GUI.NoteBook
        • PDielec.GUI.OpenGLWidget
        • PDielec.GUI.PlottingTab
        • PDielec.GUI.PowderScenarioTab
        • PDielec.GUI.RamanPolarWindow
        • PDielec.GUI.ScenarioTab
        • PDielec.GUI.SettingsTab
        • PDielec.GUI.SingleCrystalLayer
        • PDielec.GUI.SpreadSheetManager
        • PDielec.GUI.ViewerTab
      • PDielec.GenericOutputReader
      • PDielec.GulpOutputReader
      • PDielec.HelperRoutines
      • PDielec.IO
      • PDielec.LayeredRamanCalculator
      • PDielec.Materials
      • PDielec.Mie
      • PDielec.NACDiagnostics
      • PDielec.OpticalChannelResolver
      • PDielec.PhononFinalStateResolver
      • PDielec.PhonopyOutputReader
      • PDielec.Plotter
      • PDielec.PrimitiveCell
      • PDielec.QEOutputReader
      • PDielec.RamanAmplitudeAccumulator
      • PDielec.RamanGeometry
      • PDielec.RamanPolarCalculator
      • PDielec.RamanSpectrum
      • PDielec.SuperCell
      • PDielec.Tests
        • PDielec.Tests.Calculator
          • PDielec.Tests.Calculator.test_A_tensor_utilities
          • PDielec.Tests.Calculator.test_B_geometry
          • PDielec.Tests.Calculator.test_C_depolarisation
          • PDielec.Tests.Calculator.test_D_permittivity_conversions
          • PDielec.Tests.Calculator.test_E_euler_angles
          • PDielec.Tests.Calculator.test_F_normal_modes
          • PDielec.Tests.Calculator.test_G_effective_medium
          • PDielec.Tests.Calculator.test_H_absorption_spectrum
          • PDielec.Tests.Calculator.test_I_raman_mass_normalization
        • PDielec.Tests.Crystal_Raman
          • PDielec.Tests.Crystal_Raman.conftest
          • PDielec.Tests.Crystal_Raman.test_A_raman_tensor_algebra
          • PDielec.Tests.Crystal_Raman.test_B_single_layer
          • PDielec.Tests.Crystal_Raman.test_C_layered_consistency
          • PDielec.Tests.Crystal_Raman.test_D_reciprocity
          • PDielec.Tests.Crystal_Raman.test_E_frequency
          • PDielec.Tests.Crystal_Raman.test_F_complex_values
          • PDielec.Tests.Crystal_Raman.test_G_polar_mode_simulator
          • PDielec.Tests.Crystal_Raman.test_H_depth_integration
          • PDielec.Tests.Crystal_Raman.test_I_modal_pairs
          • PDielec.Tests.Crystal_Raman.test_J_electro_optic_correction
          • PDielec.Tests.Crystal_Raman.test_K_abinit_raman_units
          • PDielec.Tests.Crystal_Raman.test_K_degenerate_grouping
          • PDielec.Tests.Crystal_Raman.test_L_electro_optic_toggle
          • PDielec.Tests.Crystal_Raman.test_M_finite_field_reader
          • PDielec.Tests.Crystal_Raman.test_M_porto_notation
          • PDielec.Tests.Crystal_Raman.test_N_crystal_scenario_layer_coalesce
          • PDielec.Tests.Crystal_Raman.test_O_fs3_basis_invariance
          • PDielec.Tests.Crystal_Raman.test_P_fs5_degenerate_subspace
          • PDielec.Tests.Crystal_Raman.test_Q_fs16_polar_tensor_bulk_limit
          • PDielec.Tests.Crystal_Raman.test_R_fs_phase1_final_state_resolver
          • PDielec.Tests.Crystal_Raman.test_R_stage2_nac_diagnostics
          • PDielec.Tests.Crystal_Raman.test_S_fs_phase2_amplitude_accumulator
          • PDielec.Tests.Crystal_Raman.test_T_fs_phase3_optical_channel_resolver
          • PDielec.Tests.Crystal_Raman.test_U_fs_phase4_modal_pair_replacement
          • PDielec.Tests.Crystal_Raman.test_V_stage8_batio3_regression
          • PDielec.Tests.Crystal_Raman.test_W_review_regressions
          • PDielec.Tests.Crystal_Raman.test_X_native_abinit_eo
        • PDielec.Tests.General
          • PDielec.Tests.General.test_azimuthal_plot_compatibility
          • PDielec.Tests.General.test_cli_release_smoke
          • PDielec.Tests.General.test_excel_comparison
          • PDielec.Tests.General.test_experiment_reader_defaults
          • PDielec.Tests.General.test_gui_program_names
          • PDielec.Tests.General.test_pdmake_arguments
        • PDielec.Tests.Powder_Raman
          • PDielec.Tests.Powder_Raman.test_A_raman_tensor_algebra
          • PDielec.Tests.Powder_Raman.test_B_local_field_sphere
          • PDielec.Tests.Powder_Raman.test_C_anisotropic_sphere
          • PDielec.Tests.Powder_Raman.test_D_ellipsoid_depolarisation
          • PDielec.Tests.Powder_Raman.test_E_orientation_averaging
          • PDielec.Tests.Powder_Raman.test_I_numerical_stability
          • PDielec.Tests.Powder_Raman.test_J_reader_conventions
          • PDielec.Tests.Powder_Raman.test_K_castep_atomic_raman
          • PDielec.Tests.Powder_Raman.test_K_electro_optic_toggle
          • PDielec.Tests.Powder_Raman.test_L_particle_eo_and_effective_tensor
          • PDielec.Tests.Powder_Raman.test_L_spreadsheet_units
          • PDielec.Tests.Powder_Raman.test_M_batio3_particle_regression
          • PDielec.Tests.Powder_Raman.test_N_missing_polar_data
      • PDielec.UnitCell
      • PDielec.Utilities
      • PDielec.VaspOutputReader
      • PDielec.aims_pdielec_born
      • PDielec.checkcsv
      • PDielec.checkexcel
      • PDielec.graphdatagenerator
      • PDielec.p1reader
      • PDielec.p2cif
      • PDielec.pdcompare
      • PDielec.pdgui
      • PDielec.pdmake
      • PDielec.phonopy_pdielec_born
      • PDielec.pickled_reader
      • PDielec.preader
      • PDielec.vibanalysis
    • test_H_cif
    • test_B_layer
    • test_D_system
    • test_B_lattice
    • test_E_fresnel
    • test_C_smatrix
    • test_E_database
    • test_E_symmetry
    • test_F_molecular
    • test_F_incoherent
    • test_C_coordinates
    • test_A_length_units
    • test_D_element_data
    • test_G_coordinate_io
    • test_D_volume_density
    • test_A_math_utilities
    • test_D_material_classes
    • test_C_unit_conversions
    • test_B_derived_constants
    • test_A_dielectric_constant
    • test_B_dielectric_tabulated
    • test_C_dielectric_lorentzian
    • test_A_fundamental_constants
  • PDielec.pdgui
  • PDielec.preader
  • PDielec.pdmake

References

  • References
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