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Are there any codes available? What is the easiest way?

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  • $\begingroup$ Could you clarify your requirements? What exactly qualifies as a nanoribbon? There are a number of software packages that can generate periodic structures from a unit cell. Does the software need to be free and/or open source or are you willing to purchase a commercial product? $\endgroup$
    – Tyberius
    Commented Nov 12, 2021 at 14:58
  • $\begingroup$ If you just want the structure with xyz file, I suggest vesta $\endgroup$
    – sslucifer
    Commented Nov 12, 2021 at 17:09
  • $\begingroup$ @sslucifer why not expand on that and write it as an answer? It would be nice for us to clear up our unanswered queue a bit and get back to 90% answered! $\endgroup$ Commented Nov 18, 2021 at 6:02
  • $\begingroup$ Read the answer of this previous post. You can define regions within lammps for different shapes and even perform boolean operations on those regions to obtain finer control. I'll provide a sample script if needed. $\endgroup$
    – PBH
    Commented Nov 19, 2021 at 10:43

1 Answer 1

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NANOCUT

What is Nanocut?

Nanocut is a program designed to cut out various objects from three dimensional crystal structures. It is aimed to be helpful when creating geometry input for atomistic simulations. Currently it can create following objects:

  • Spherical cluster
  • Polyhedral cluster
  • Cylindrical cluster
  • Spherical wire (1D periodic)
  • Polyhedral wire (1D periodic)
  • Plain slab (2D periodic)
  • Supercells (3D periodic)

The manual of NANOCUT can be seeing here.
The repository is here.
The program can be downloaded here.

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