Dear All, When I do geometry optimisation for 10-10 unit cell using 1 K point I have not obtained the final nano tube structure.My structure is something broken bond structure.when I optimise with 60 K I have the final structure which has the nannotube form. For all zig zag i have the final structure which is nanotube form .I put the correct lattice constants and parameters to keep the periodicity.Could you any one help in this regard. Sincerely Kuganathan
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