Welcome to the documentation of PyPL 1.0

PyPL is designed to compute vibrationally resolved spectra of point defects.

Features:

• Calculation of vibrationally resolved photoluminescence and absorption spectra using Huang-Rhys theory and the generating function approach.

• Calculation of vibrationally resolved optical spectra using the one-dimensional configurational coordinate diagram (1D CCD) approach.

---

Installation

Instructions on how to install the PyPL package.

Tutorials

Compact demonstration of usage of PyPL for computing vibrationally resolved photoluminescence and absorption spectra of point defects.

Documentation

Detailed documentation of the PyPL package.

Credits

Instructions on how to cite and acknowledge this software in publications.

Note

To get help using the PyPL package, send an email to jinyuchem@uchicago.edu.

The PyPL package is hosted on GitHub and licensed under the open-source MIT license.