and has an associated chemical potential denoted by µ i . n refers to the number of element i added to or taken away from an external reservoir . In this work, the Fermi level ranges from the valence band maximum (VBM) at 0 eV (where ϵ H V BM denotes the eigenvalue of the VBM in the host material) to the conduction band minimum (CBM) which occurs at 6.38 eV. The potential of the defect supercell bar the immediate vicinity of the defect is averaged and aligned to the host supercell and is described by ∆ E pot . To account for the finite size effects of the defect supercells, two post-processing corrections are applied, E IC corr and E BF corr . The first correction term corresponds to the image-charge correction which minimises the long ranged nature of the Coulomb interaction of the charged defect and its periodic images. The implementation used herein uses a formalism based upon the Lany and Zunger correction 54 with a 'non-cubic' adaptation as implemented by Hine and Murphy. Lastly a band-filling correction is applied to shallow and resonant defects to account for the high carrier concentrations present in supercell calculations so as to regain the 'dilute limit'.