Welcome to LB-Symm’s documentation!
Note
This project is under active development. Feel free to contact us directly for any question, we can give you advise if this code is suitable for your project. Email: khsrali@gmail.com
Note
Possible collaboration with related packages are welcome!
LTB-Symm
LTB-Symm 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 few (many) K-points, is managable.
At the current state of development, this code is particualrly suited for the community studying twisted bilayer/multilayer graphene.
- All input needed are:
Coordinate of atoms/orbitals, e.g. lammpstrj, XYZ
Functional form of Hamiltoninan
- And possible outputs are:
Bands structure
Density of States
Check topological symmetries of wave functions
Shape of the wavefunction
Features
MPI implemented, able to run on HPC clusters.
Object Oriented, easy to modify for multi purpose.
Efficient (calculate only the subset of energy levels that are physically relevant).
Ideal for 2D materials, e.g. graphene.
Many routines are automated.
The first open-source code (to the best of our knowledge) which is able to investigate group symmetries in these systems in a systematic way.