├── .DS_Store ├── CODE_OF_CONDUCT.md ├── ElectronTransport.ipynb ├── Figs ├── .DS_Store ├── .gitkeep ├── Fig_1.png ├── Fig_10.png ├── Fig_11.png ├── Fig_12.png ├── Fig_13.png ├── Fig_14.png ├── Fig_15.png ├── Fig_2.png ├── Fig_3.png ├── Fig_4.png ├── Fig_5.png ├── Fig_6.png ├── Fig_7.png ├── Fig_8.png ├── Fig_9.png ├── TOC_1.png ├── TOC_2.png └── TOC_3.png ├── LICENSE ├── MANIFEST.in ├── Matlab ├── README.md ├── TwoDimScattering.m ├── UnitTests.m ├── cubic.m ├── cylinder.m ├── e_lifetime.m ├── inf_cubic.m ├── inf_cylinder.m ├── inf_triangle.m ├── spherical.m └── triangle.m ├── README.md ├── ThermoElectric.egg-info ├── PKG-INFO ├── SOURCES.txt ├── dependency_links.txt └── top_level.txt ├── ThermoElectric ├── __init__.py ├── __pycache__ │ ├── __init__.cpython-39.pyc │ ├── _version.cpython-39.pyc │ ├── accum.cpython-39.pyc │ ├── bte_solver.cpython-39.pyc │ ├── functions.cpython-39.pyc │ ├── io.cpython-39.pyc │ ├── lifetime.cpython-39.pyc │ ├── util.cpython-39.pyc │ └── visualize.cpython-39.pyc ├── _version.py ├── accum.py ├── bte_solver.py ├── data │ ├── README.md │ └── look_and_say.dat ├── examples │ ├── .DS_Store │ └── Exp-00-Si-Nanocomposite │ │ ├── DFT_Data │ │ ├── DOSCAR │ │ └── EIGENVAL │ │ ├── Exp_Data │ │ ├── ExpData_SiCfrac-0pct_direction-up.txt │ │ ├── ExpData_SiCfrac-1pct_direction-up.txt │ │ ├── ExpData_SiCfrac-5pct_direction-down.txt │ │ ├── ExpData_SiCfrac-5pct_direction-up.txt │ │ ├── experimental-carrier-concentration-1pct.txt │ │ ├── experimental-carrier-concentration-5pct-direction-down.txt │ │ ├── experimental-carrier-concentration-5pct-direction-up.txt │ │ ├── experimental-carrier-concentration-no-inc.txt │ │ └── experimental-carrier-concentration.txt │ │ ├── Figs │ │ ├── .DS_Store │ │ ├── conductivity_0pct.png │ │ ├── density_state.png │ │ ├── fermi_approx_0pct_cooling.png │ │ ├── fermi_dist.png │ │ ├── fermi_level_0pct.png │ │ ├── fermi_level_1pct.png │ │ ├── fermi_level_5pct_cooling.png │ │ ├── fermi_level_5pct_heating.png │ │ ├── fermi_window.png │ │ ├── group_velocity.png │ │ ├── lorenz_number_0pct.png │ │ ├── power_factor_0pct.png │ │ ├── seebeck_0pct.png │ │ └── thermal_conductivity_0pct.png │ │ ├── Lifetime_Data │ │ ├── energy_grain.out │ │ ├── energy_np.out │ │ ├── lifetime_grain.out │ │ └── lifetime_np.out │ │ ├── Matlab_Files │ │ ├── .DS_Store │ │ ├── Ef-inc-1pct.out │ │ ├── Ef-inc-5pct-dir-down.out │ │ ├── Ef-inc-5pct-dir-up.out │ │ ├── Ef-no-inc.out │ │ ├── fermi-0pct.out │ │ ├── fermi-1pct.out │ │ ├── fermi-5pct-dir-down.out │ │ ├── fermi-5pct-dir-up.out │ │ ├── fermi.m │ │ └── fermi_integration.m │ │ ├── figs.py │ │ └── run.py ├── functions.py ├── io.py ├── lifetime.py ├── tests │ ├── __init__.py │ ├── __pycache__ │ │ ├── __init__.cpython-39.pyc │ │ ├── test_ThermoElectric.cpython-39-pytest-6.2.5.pyc │ │ ├── test_analytical_dos.cpython-39-pytest-6.2.5.pyc │ │ ├── test_analytical_group_velocity.cpython-39-pytest-6.2.5.pyc │ │ ├── test_band_gap.cpython-39-pytest-6.2.5.pyc │ │ ├── test_electrical_properties.cpython-39-pytest-6.2.5.pyc │ │ ├── test_fermi_level.cpython-39-pytest-6.2.5.pyc │ │ ├── test_fermi_self_consistent.cpython-39-pytest-6.2.5.pyc │ │ ├── test_matthiessen.cpython-39-pytest-6.2.5.pyc │ │ ├── test_tau_p.cpython-39-pytest-6.2.5.pyc │ │ ├── test_tau_screened_coulomb.cpython-39-pytest-6.2.5.pyc │ │ ├── test_tau_strongly_screened_coulomb.cpython-39-pytest-6.2.5.pyc │ │ └── test_tau_unscreened_coulomb.cpython-39-pytest-6.2.5.pyc │ ├── test_ThermoElectric.py │ ├── test_analytical_dos.py │ ├── test_band_gap.py │ ├── test_fermi_level.py │ ├── test_fermi_self_consistent.py │ ├── test_matthiessen.py │ ├── test_tau_p.py │ ├── test_tau_screened_coulomb.py │ ├── test_tau_strongly_screened_coulomb.py │ └── test_tau_unscreened_coulomb.py ├── util.py └── visualize.py ├── __pycache__ └── versioneer.cpython-39.pyc ├── devtools ├── README.md ├── conda-envs │ └── test_env.yaml ├── legacy-miniconda-setup │ └── before_install.sh └── scripts │ └── create_conda_env.py ├── dist └── ThermoElectric-1+422.g2816487.dirty-py3-none-any.whl ├── docs ├── Makefile ├── README.md ├── _build │ ├── doctrees │ │ ├── api.doctree │ │ ├── autosummary │ │ │ ├── ThermoElectric.band_structure.doctree │ │ │ ├── ThermoElectric.carrier_concentration.doctree │ │ │ ├── ThermoElectric.electrical_properties.doctree │ │ │ ├── ThermoElectric.electron_density.doctree │ │ │ ├── ThermoElectric.fermi_level.doctree │ │ │ ├── ThermoElectric.fermi_self_consistent.doctree │ │ │ ├── ThermoElectric.group_velocity.doctree │ │ │ ├── ThermoElectric.tau3D_spherical.doctree │ │ │ ├── ThermoElectric.tau_2d_cylinder.doctree │ │ │ ├── ThermoElectric.tau_p.doctree │ │ │ ├── ThermoElectric.tau_screened_coulomb.doctree │ │ │ ├── ThermoElectric.tau_strongly_screened_coulomb.doctree │ │ │ └── ThermoElectric.tau_unscreened_coulomb.doctree │ │ ├── electrical_properties.doctree │ │ ├── electron_lifetime.doctree │ │ ├── environment.pickle │ │ ├── index.doctree │ │ ├── intrinsic_properties.doctree │ │ └── ref.doctree │ └── html │ │ ├── .buildinfo │ │ ├── _images │ │ ├── Fig_10.png │ │ ├── Fig_11.png │ │ ├── Fig_12.png │ │ ├── Fig_13.png │ │ ├── Fig_14.png │ │ ├── Fig_15.png │ │ ├── TOC_1.png │ │ └── TOC_2.png │ │ ├── _modules │ │ ├── ThermoElectric │ │ │ ├── bte_solver.html │ │ │ ├── functions.html │ │ │ ├── io.html │ │ │ └── lifetime.html │ │ └── index.html │ │ ├── _sources │ │ ├── api.rst.txt │ │ ├── autosummary │ │ │ ├── ThermoElectric.band_structure.rst.txt │ │ │ ├── ThermoElectric.carrier_concentration.rst.txt │ │ │ ├── ThermoElectric.electrical_properties.rst.txt │ │ │ ├── ThermoElectric.electron_density.rst.txt │ │ │ ├── ThermoElectric.fermi_level.rst.txt │ │ │ ├── ThermoElectric.fermi_self_consistent.rst.txt │ │ │ ├── ThermoElectric.group_velocity.rst.txt │ │ │ ├── ThermoElectric.tau3D_spherical.rst.txt │ │ │ ├── ThermoElectric.tau_2d_cylinder.rst.txt │ │ │ ├── ThermoElectric.tau_p.rst.txt │ │ │ ├── ThermoElectric.tau_screened_coulomb.rst.txt │ │ │ ├── ThermoElectric.tau_strongly_screened_coulomb.rst.txt │ │ │ └── ThermoElectric.tau_unscreened_coulomb.rst.txt │ │ ├── electrical_properties.rst.txt │ │ ├── electron_lifetime.rst.txt │ │ ├── index.rst.txt │ │ ├── intrinsic_properties.rst.txt │ │ └── ref.rst.txt │ │ ├── _static │ │ ├── README.md │ │ ├── basic.css │ │ ├── css │ │ │ ├── badge_only.css │ │ │ ├── fonts │ │ │ │ ├── Roboto-Slab-Bold.woff │ │ │ │ ├── Roboto-Slab-Bold.woff2 │ │ │ │ ├── Roboto-Slab-Regular.woff │ │ │ │ ├── Roboto-Slab-Regular.woff2 │ │ │ │ ├── fontawesome-webfont.eot │ │ │ │ ├── fontawesome-webfont.svg │ │ │ │ ├── fontawesome-webfont.ttf │ │ │ │ ├── fontawesome-webfont.woff │ │ │ │ ├── fontawesome-webfont.woff2 │ │ │ │ ├── lato-bold-italic.woff │ │ │ │ ├── lato-bold-italic.woff2 │ │ │ │ ├── lato-bold.woff │ │ │ │ ├── lato-bold.woff2 │ │ │ │ ├── lato-normal-italic.woff │ │ │ │ ├── lato-normal-italic.woff2 │ │ │ │ ├── lato-normal.woff │ │ │ │ └── lato-normal.woff2 │ │ │ └── theme.css │ │ ├── doctools.js │ │ ├── documentation_options.js │ │ ├── file.png │ │ ├── jquery-3.5.1.js │ │ ├── jquery.js │ │ ├── js │ │ │ ├── badge_only.js │ │ │ ├── html5shiv-printshiv.min.js │ │ │ ├── html5shiv.min.js │ │ │ └── theme.js │ │ ├── language_data.js │ │ ├── minus.png │ │ ├── plus.png │ │ ├── pygments.css │ │ ├── searchtools.js │ │ ├── underscore-1.13.1.js │ │ └── underscore.js │ │ ├── api.html │ │ ├── autosummary │ │ ├── ThermoElectric.band_structure.html │ │ ├── ThermoElectric.carrier_concentration.html │ │ ├── ThermoElectric.electrical_properties.html │ │ ├── ThermoElectric.electron_density.html │ │ ├── ThermoElectric.fermi_level.html │ │ ├── ThermoElectric.fermi_self_consistent.html │ │ ├── ThermoElectric.group_velocity.html │ │ ├── ThermoElectric.tau3D_spherical.html │ │ ├── ThermoElectric.tau_2d_cylinder.html │ │ ├── ThermoElectric.tau_p.html │ │ ├── ThermoElectric.tau_screened_coulomb.html │ │ ├── ThermoElectric.tau_strongly_screened_coulomb.html │ │ └── ThermoElectric.tau_unscreened_coulomb.html │ │ ├── electrical_properties.html │ │ ├── electron_lifetime.html │ │ ├── genindex.html │ │ ├── index.html │ │ ├── intrinsic_properties.html │ │ ├── objects.inv │ │ ├── ref.html │ │ ├── search.html │ │ └── searchindex.js ├── _static │ └── README.md ├── _templates │ └── README.md ├── api.rst ├── autosummary │ ├── ThermoElectric.band_structure.rst │ ├── ThermoElectric.carrier_concentration.rst │ ├── ThermoElectric.electrical_properties.rst │ ├── ThermoElectric.electron_density.rst │ ├── ThermoElectric.fermi_level.rst │ ├── ThermoElectric.fermi_self_consistent.rst │ ├── ThermoElectric.group_velocity.rst │ ├── ThermoElectric.tau3D_spherical.rst │ ├── ThermoElectric.tau_2d_cylinder.rst │ ├── ThermoElectric.tau_p.rst │ ├── ThermoElectric.tau_screened_coulomb.rst │ ├── ThermoElectric.tau_strongly_screened_coulomb.rst │ └── ThermoElectric.tau_unscreened_coulomb.rst ├── conf.py ├── electrical_properties.rst ├── electron_lifetime.rst ├── index.rst ├── intrinsic_properties.rst ├── make.bat ├── 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