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Anonymous

What is the difference between “Resonances vs. Bias” and “Energies vs. Bias”

It seems to me that this is the same data. Why is the data being shown twice?

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    Jean Michel D Sellier

    The two graphs are actually not the same. “Energies vs. Bias” shows the eigenenergy vs bias of ALL calculated modes (which are 10 at the present time), while “Resonances vs Bias” shows only the energies related to the resonances.

    To see that, try to restrict the resonance energy range by putting a smaller value to the entry “Resonance energy range”. Then you’ll see that the two graphs are different.

    They are the same graphs only when all of the calculated modes are also resonances.

    I hope this helps,

    JM

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      Anonymous

      I am sorry, the physical quantities that are being computed are eigenenergies. These eigen energies you are calling two different things: energies and resonances. They are the same and you should label them the same. If you have the intent to show different pysical effects, such as how many reonances influence the electron density etc, that should be an appropriate label……

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        Jean Michel D Sellier

        Thanks for your suggestion. This issue has been now solved in version 2.1.2 (which has been deployed on the nanoHUB). If you have any further comment/suggestions, you are very welcome.

        JM

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