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Single-walled carbon nanotubes behave like a metal when (n-m)=3q, where q is an integer. In a SIESTA simulation of a SWCNT, for a k-grid of
Single-walled carbon nanotubes behave like a metal when (n-m)=3q, where q is an integer. In a SIESTA simulation of a SWCNT, for a k-grid of 1x1x128, how can I determine if the results obtained agree with this trend. And if they don't, why is this rule not followed?
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