py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations. - Alexander G. Squires; David O. Scanlon; Benjamin J. Morgan (J. Open Source Softw., 2023)

doped: Python toolkit for robust and repeatable charged defect supercell calculations. - Seán R. Kavanagh; Alexander G. Squires; Adair Nicolson; Irea Mosquera-Lois; Alex M. Ganose; Bonan Zhu; Katarina Brlec; Aron Walsh; David O. Scanlon (J. Open Source Softw., 2024)