Supplementary information for the thesis: Using data-derived charge densities in electronic structure methods

This supplementary information contains the data sets and pieces of original code that are part of the thesis: Using data-derived charge densities in electronic structure methods. We provide configurations for each data set in the form on input files for either the orbital-free or Kohn-Sham density functional theory code PROFESS or CASTEP, respectively. The code that we submit is partitioned into 2 parts that correspond to the calculations in Chapter 4 and Chapter 5. These codes compute and infer parametric models for data-derived charge densities using the methods detailed in the main thesis. See the README file for more information.