point-defects

There are 4 repositories under point-defects topic.

  • doped

    SMTG-Bham/doped

    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-friendly yet powerful and fully-customisable manner.

    Language:Python129143231
  • ShakeNBreak

    SMTG-Bham/ShakeNBreak

    Defect structure-searching employing chemically-guided bond distortions

    Language:Python7941917

  • kumagai-group/pydefect

    Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

    Language:Python4631818

  • EvanPayne22/Charge-Defect-Analysis

    Generating charge defect plots with energy correction included.

    Language:Python1102