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deji akinwande

density of states contains a bug

I checked the 19,0 density of states with my calculations and it appears to be missing some van-Hove singularities between the energy range of 0 to 3eV. i compared against others DOS results including Prof. Maruyama in Japan and consistently observed that the missing singularities exist. there might be a bug in the code.

  1. tool:cntbands-ext

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    Benjamin P Haley

    Thanks for bringing this to our attention. I will have the maintainers of this tool look into this.

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    Benjamin P Haley

    A support ticket, #256697, has been created for this issue, and we will manage this bug through the ticket system. This question will be closed and all further updates will be posted to the ticket, at http://nanohub.org/support/ticket/256697.

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    Benjamin P Haley

    A bug in the DOS calculation was found and has been corrected in v2.2. of CNTBands, which will be deployed soon.

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