This repository contains all code needed to reproduce data analysis and figures in the publication by Edith Simmen and Nicola A. Spaldin. The data needed to run the code available in the following repository.
This repository contains the following files:
- The notebook "paper_figures.ipynb" reads in all the data and generates the figures in the same order as shown in the paper.
- The python notebook "elstat_model_best_parameters.ipynb" uses the different electrostatic models (with or without additional screening by electron-hole excitation) to find the parameters that best reproduce DFT behavior and also generates the data plotted in the paper.
- The electrostatic models and all additional functions needed to process the data are found in the python_functions directory.
- The required packages and the package versions used to create these notebooks are given in the requirements file.