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Galore: Broadening and weighting for simulation of photoelectron spectroscopy.

, , , , and . J. Open Source Softw., 3 (26): 773 (2018)

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ShakeNBreak: Navigating the defect configurational landscape., , , and . J. Open Source Softw., 7 (80): 4817 (December 2022)Galore: Broadening and weighting for simulation of photoelectron spectroscopy., , , , and . J. Open Source Softw., 3 (26): 773 (2018)Surfaxe: Systematic surface calculations., , and . J. Open Source Softw., 6 (61): 3171 (2021)Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds., , , and . Comput. Phys. Commun., 185 (1): 330-338 (2014)py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations., , and . J. Open Source Softw., 8 (82): 4962 (February 2023)sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations., , and . J. Open Source Softw., 3 (28): 717 (2018)doped: Python toolkit for robust and repeatable charged defect supercell calculations., , , , , , , , and . J. Open Source Softw., 9 (96): 6433 (April 2024)easyunfold: A Python package for unfolding electronic band structures., , and . J. Open Source Softw., 9 (94): 5974 (February 2024)