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@SMTG-Bham @morgan-group-bath

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  1. bjmorgan/py-sc-fermi bjmorgan/py-sc-fermi Public

    py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation ener…

    Python 23 9

  2. defectivator defectivator Public

    Tools for generating point defects and defect complexes in periodic crystal structures

    Python 4 2