A Python library for Symmetry-Adapted Closest Wannier (SymCW) Tight-Binding model based on Plane-Wave DFT calculation.
Project description
SymClosestWannier
-
Overview: A Python library to create Symmetry-adapted Closest Wannier (SymCW) tight-binding models based on the Symmetry-Adapted Multipole Basis (SAMB) [1] and the Closest Wannier formalism developed by Taisuke Ozaki [2].
[1] Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B 107, 195118 (2023). DOI: https://doi.org/10.1103/PhysRevB.107.195118.
[2] Taisuke Ozaki, Closest Wannier functions to a given set of localized orbitals, arXiv:2306.15296, (2023). URL: https://arxiv.org/abs/2306.15296v2. -
Authors: Rikuto Oiwa
-
Installation: SymClosestWannier can be installed from PyPI using pip on Python >= 3.9:
pip install symclosestwannier
-
Citing SymClosestWannier: If you are using SymClosestWannier in your scientific research, please help our scientific visibility by citing our work:
Rikuto Oiwa, Akane Inda, Satoru Hayami, Takuya Nomoto, Ryotaro Arita, and Hiroaki Kusunose, in preparation.
DOI: -
Requirements:
-
To Do:
- add function to read seedname.uHu, seedname.uIu files.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for symclosestwannier-1.1.20-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 9dac18cd6463f34327429dca4be625209b6e5e9e33c1c14c0bf065d5d95c4436 |
|
MD5 | e769b4ee5ccd0f6830f795a70ee7fc5d |
|
BLAKE2b-256 | ee0f9c1c9cd0ece8410bfbf76a03f3d297080f308599894483d99f7a25ffd99f |