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  1. castep-fmtvis castep-fmtvis Public

    A Python-based visualisation tool using PyVista to visualised formatted grid data from CASTEP (and possibly other electronic structure codes).

    Python 3

  2. CASTEP_bands CASTEP_bands Public

    Forked from NPBentley/CASTEP_bands

    A Python module for performing band structure manipulation and generating publication quality plots.

    Python

  3. iDEA iDEA Public

    Forked from iDEA-org/iDEA

    interacting Dynamic Electrons Approach

    Jupyter Notebook

  4. optados optados Public

    Forked from optados-developers/optados

    Official Repository of the Optados code

    Fortran

  5. QEbands QEbands Public

    A visualisation tool for Quantum ESPRESSO band structures in Python.

    Python

  6. castep2casino castep2casino Public

    A utility for converting CASINO expval data in reciprocal space to CASTEP data in real space.

    Fortran