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  1. SMTG-Bham/surfaxe SMTG-Bham/surfaxe Public

    Dealing with slabs for first principles calculations of surfaces

    Jupyter Notebook 46 14

  2. SMTG-Bham/doped SMTG-Bham/doped Public

    doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…

    Python 108 26