Accordingly, each defect must be represented by a folder with the format "atom_site", and each charge state must be represented by subfolders with the name "q#", where # is the charge state. Additionally, a folder named "Bulk" containing the total energy, number of atoms, and electronic structure of the pristine, undefected supercell must be included in the same folder. The band gap and valence band maximum are read from the vasprun.xml file using pymatgen. The band edge positions are used to draw the Fermi energy limits of the defect formation energy diagram.