<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.
Raw data
{
"_id": null,
"home_page": "https://github.com/khsrali/LTB-Symm",
"name": "LTB-Symm",
"maintainer": "",
"docs_url": null,
"requires_python": ">=3.7",
"maintainer_email": "",
"keywords": "tight-binding wave-function symmetries",
"author": "Ali Khosravi, Andrea Silva",
"author_email": "khsrali@gmail.com",
"download_url": "https://files.pythonhosted.org/packages/e3/e5/17fc3b986659f7dbd185d822514eacedbc83450b2b32a78f5d1b3a6f0907/LTB-Symm-1.0.0.tar.gz",
"platform": null,
"description": "<img\nsrc=\"https://github.com/khsrali/LTB-Symm/blob/develop/docs/source/_images/logo_V_0.1.png?raw=true\"\nwidth=\"1200\" alt=\"image\" />\n\n\n# LTB-Symm\n\nLTB-Symm is a publicly available code that does two things: **large\nscale tight-binding** (LTB) calculation of 2D materials, and checks\n**topological symmetries** (Symm) of their wave functions.\n\n## Who benefits\n\nLTB-Symm is an ideal choice for researchers looking for a ready-to-use,\neasy-to-modify, and MPI-implemented TB code for large scale 2D\nstructures. Up to 1 (0.1) Milions atoms for limited (vast) K-points, is\n(easily) managable.\n\nSpecially communities who deal with twisted bilayer/multilayer graphene.\n\nAll input needed are: \n1. Coordinate of atoms/orbitals, e.g. lammpstrj, XYZ\n2. Functional form of Hamiltoninan\n\nAnd possible outputs are: \n- Bands structure,\n- Density of States,\n- Check topological symmetries of wave functions.\n- Shape of the wavefunction\n\n## Bold features\n\n- MPI implemented, able to run on HPC clusters.\n- Object Oriented, easy to modify for multi purpose.\n- Efficient, calculate only a few energy levels that are needed.\n- Ideal for 2D materials, e.g. graphene.\n- Many routings are automated.\n- The only open-source code that we know of which is able to investigate group symmetries in this way.",
"bugtrack_url": null,
"license": "GNU under General Public License v3.0",
"summary": "Large Scale Tight Binding + Symmetries",
"version": "1.0.0",
"project_urls": {
"Homepage": "https://github.com/khsrali/LTB-Symm"
},
"split_keywords": [
"tight-binding",
"wave-function",
"symmetries"
],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "e3e517fc3b986659f7dbd185d822514eacedbc83450b2b32a78f5d1b3a6f0907",
"md5": "c4f14088d7f5c934ec0635fe6d17c214",
"sha256": "da8ae413e3fc342c432d315f401cc36ecd25a1f0366443dcd28c6dda675837bc"
},
"downloads": -1,
"filename": "LTB-Symm-1.0.0.tar.gz",
"has_sig": false,
"md5_digest": "c4f14088d7f5c934ec0635fe6d17c214",
"packagetype": "sdist",
"python_version": "source",
"requires_python": ">=3.7",
"size": 24370,
"upload_time": "2023-05-09T23:07:17",
"upload_time_iso_8601": "2023-05-09T23:07:17.204395Z",
"url": "https://files.pythonhosted.org/packages/e3/e5/17fc3b986659f7dbd185d822514eacedbc83450b2b32a78f5d1b3a6f0907/LTB-Symm-1.0.0.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2023-05-09 23:07:17",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "khsrali",
"github_project": "LTB-Symm",
"travis_ci": false,
"coveralls": false,
"github_actions": false,
"lcname": "ltb-symm"
}
JSON
