README.md

Moire Lattice & Nanotube Generator

Python scripts to create LAMMPS input data files for moiré lattice of various 2D materials, including Graphene, TMDC, and hBN. A Python script is also available for generating TMDC nanotubes.

Requirements

• python ( version >= 3.8)
• numpy
• scipy
• matplotlib
• termcolor

Example :

python moire_TMDC_rect.py -m=3 -r=1

Here, m and r correspond to the commensurate angle of the moire lattice.

python TMDC_nanotube.py -n=3 -m=4

Here, n and m correspond to the chirality of the nanotube.

Command line arguments

Several command line arguments are available in addition to m and r. To see more details, run the corresponding Python script with the --help flag.

License

GPLv3