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Wish List - Tool "cntbands-ext": Wish #329

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Hasina Fahmida Huq

Would like to see Temperature effect

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  1. SungGeun Kim

    Since the CNTbands tool is based on tight-binding approximation, atom-positions are fixed and the temperature cannot be taken into account. So this wish cannot be fullfilled.

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  2. SungGeun Kim

    I believe it is very difficult to implement temperature effects in this tool. The tight-binding parameters are for 300K and to get the temperature effects, we have to know the temperature-dependent tight-bindking parameters for graphene structure which, I believe, are not available now.

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