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Sergio Manzetti

Is this tool to calculate a band gap of a structure?

Does this tool simply illustrate the calculation, or does it allow calculation of band gap of various input materials?

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    David Strubbe

    As you can see, it calculates silicon and benzene. If you are interested in doing GW calculations, I suggest you download BerkeleyGW from This tool has a constrained environment and uses an old pre-release version.

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