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:
- 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
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.
