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  1. XDATCAR_distance XDATCAR_distance Public

    Calculate atomic distances in not orthogonal cell

    Fortran 2 2

  2. BAND_GAP_AWK BAND_GAP_AWK Public

    Awk script that finds the band gap of a calculation

    1

  3. Appunti Appunti Public

    1

  4. aims-input-perovskite aims-input-perovskite Public

  5. RotateMoleculeFortran RotateMoleculeFortran Public

    Delendo

    Fortran

  6. Rotate-molecule Rotate-molecule Public

    It generate a POSCAR with a MA molecule inside a cubic perovskite-like cage

    4