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  1. aims_DosBand aims_DosBand Public

    Plot Band structure and DOS from FHI-aims outputfiles via xmgrace.

    Shell 1 1

  2. fhi2xsf fhi2xsf Public

    visualizing FHI-aims geometry.in via xcrysden

    Shell 2 1

  3. bestoon bestoon Public archive

    JavaScript 2

  4. elk2xsf elk2xsf Public

    visualizing elk.in (input file for elk, a dft code) via xcrysden

    Shell 1

  5. gaussian-grep gaussian-grep Public

    some linux shell script for grepping data from gaussian output

    Shell 3 1

  6. gaussian-hyperpolarizability-grep gaussian-hyperpolarizability-grep Public

    extracting hyperpolarizability components from Gaussian 09 output

    Shell 2