I was looking for a way or a software to construct a carbon nanotube from a triabgular lattice. I need to create triangular lattice CNT to use it in VMD (as VMD just has the regular hegzagonal CNT) and get the input data file for LAMMPS. I saw online that some people use Material Studio to create their material to be used in VMD. I have not used material Studio before and would appreciate it if somebody kindly give me some hints about how to create a CNT from a triangular lattice using material studio.

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    $\begingroup$ While this may be technically possible, I think one should ask if it is physically sensible to do so, as this will create a material where all carbon atoms are planar 6-coordinated, which is extremely unstable and probably won't exist even under extreme pressures. (You may be able to force carbon atoms into such a lattice, but the required pressure will be so large that the CNT will collapse and cease to be a tube.) $\endgroup$
    – wzkchem5
    Feb 18, 2022 at 8:02
  • $\begingroup$ Delaram, what do you think of wzkchem5's comment? Are you still interested in doing this? Is it physically sensible to do what you were originally suggesting? $\endgroup$ Sep 2, 2022 at 21:34
  • $\begingroup$ This post appears to be abandoned. It can be reopened if OP addresses questions/suggestions from the comments. $\endgroup$
    – Tyberius
    Nov 2, 2022 at 12:48


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