Data for the manuscript "Electronic excitations of the charged nitrogen-vacancy center in diamond obtained using time-independent variational density functional calculations"

This folder contains all the input, output, and geometry files used to produce the results for the manuscript. We included unprocessed data for LDA, PBE, TPSS, and r2SCAN functionals. We also provide a keynote file for figure 1 and a jupyter notebook which we used to make figures 2-4.