The Hylight Package

About

Welcome to Hylight’s documentation!

Hylight is a post-processing tool written in Python to simulate the luminescence of solids based on the results of ab initio computations.

You may be interested in reading our first paper using it on the luminescence of BaZrO₃:Ti [BaZrO3:Ti].

To learn how to use Hylight, you can read the tutorials. Finally there is a complete reference that goes over all individual functions implemented in the package.

Attribution

Licenses

Hylight is written and maintained by the PyDEF team. The source code for Hylight is distributed under the EUPL license. This is a non viral copyleft license, to be compared to MPL, but, unlike the MPL it is available in all official languages of the EU, including authors own language, french. This documentation is distributed under CC-BY license.

Citing Hylight

If you ever use Hylight for a published scientific work, we ask that you cite the related paper [Hylight].

Tutorials

• Al₂O₃:Ti study
  • Preliminaries
  • Electronic and vibrational parameters
  • Vibrational properties investigation
  • Line width approximation
  • Spectrum simulation
  • Plotting

API reference

• hylight package
  • Subpackages
    • hylight.crystal package
    • hylight.findiff package
    • hylight.jmol package
    • hylight.phonopy package
    • hylight.vasp package
  • Submodules
  • hylight.constants module
  • hylight.guess_width module
    • OmegaEff
    • WidthModel
    • duschinsky()
    • effective_phonon_energy()
    • expected_width()
    • gradiant_at()
    • guess_width()
    • integrate()
    • sigma()
    • sigma_full_nd()
    • sigma_hybrid()
    • variance()
  • hylight.loader module
  • hylight.mode module
    • CellMismatch
    • Mask
    • Mode
    • angle()
    • dynamical_matrix()
    • generate_basis()
    • get_HR_factors()
    • get_energies()
    • modes_from_dynmat()
    • orthonormalize()
    • project_on_asr()
    • rot_c_to_v()
    • same_cell()
  • hylight.mono_mode module
    • compute_spectrum()
    • huang_rhys()
  • hylight.multi_modes module
    • LineShape
    • compute_delta_R()
    • compute_spectrum()
    • duschinsky()
    • dynmatshow()
    • fc_spectrum()
    • freq_from_finite_diff()
    • hr_spectrum()
    • make_line_shape()
    • plot_spectral_function()
    • rect()
  • hylight.npz module
    • archive_modes()
    • load_phonons()
    • pops_and_masses()
  • hylight.struct module
    • Struct
  • hylight.typing module
  • hylight.utils module
    • InputError
    • gaussian()
    • gen_translat()
    • measure_fwhm()
    • parse_formatted_table()
    • periodic_diff()
    • periodic_dist()
    • select_interval()
  • Module contents
    • setup_logging()

[Hylight]

(Ref comming soon)

[BaZrO3:Ti]

Cavignac, T.; Jobic, S.; C. Latouche, J. Chem. Theory Comput., 2022, 18, 12, 7714-7721

Indices and tables

• Index

• Module Index