LTB-Symm 1.0.0

Large Scale Tight Binding + Symmetries

<img src=”https://github.com/khsrali/LTB-Symm/blob/develop/docs/source/_images/logo_V_0.1.png?raw=true” width=”1200” alt=”image” />

# LTB-Symm

LTB-Symm is a publicly available code that does two things: large scale tight-binding (LTB) calculation of 2D materials, and checks topological symmetries (Symm) of their wave functions.

## Who benefits

LTB-Symm is an ideal choice for researchers looking for a ready-to-use, easy-to-modify, and MPI-implemented TB code for large scale 2D structures. Up to 1 (0.1) Milions atoms for limited (vast) K-points, is (easily) managable.

Specially communities who deal with twisted bilayer/multilayer graphene.

All input needed are: 1. Coordinate of atoms/orbitals, e.g. lammpstrj, XYZ 2. Functional form of Hamiltoninan

And possible outputs are: - Bands structure, - Density of States, - Check topological symmetries of wave functions. - Shape of the wavefunction

## Bold features

• MPI implemented, able to run on HPC clusters.

• Object Oriented, easy to modify for multi purpose.

• Efficient, calculate only a few energy levels that are needed.

• Ideal for 2D materials, e.g. graphene.

• Many routings are automated.

• The only open-source code that we know of which is able to investigate group symmetries in this way.