QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: arpit on March 11, 2011, 12:46
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How we can wrap a zig-zag graphene nano-ribbon.......... ???
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How do you want to wrap it? Into a nanotube? See the Moebius tutorial (http://quantumwise.com/documents/tutorials/latest/GrapheneExplorer/index.html/) for that, although you don't need to wrap graphene to get a nanotube, you can just build one directly in the Custom builder.
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Sir i want wrap it ,at an angle other then 360.
i also go through the tutorial that tutorial support armchair structure but if i use it on zig zag structure and then i passivate that ribbon then i am not getting the result...means in every structure i got the same band structure which is theoretically in correct....
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Have you completed the armchair version first, and that you get the same results as in the tutorial? It's important to make sure your scripts are in order, e.g. that all indentation levels in the loop are ok.