# [SymClosestWannier](https://cmt-mu.github.io/SymClosestWannier/)
- **Overview**:
A Python library to create Symmetry-adapted Closest Wannier (SymCW) tight-binding models [1] based on the Symmetry-Adapted Multipole Basis (SAMB) [2] and the Closest Wannier formalism developed by Taisuke Ozaki [3].
> [1] Rikuto Oiwa, Akane Inda, Satoru Hayami, Takuya Nomoto, Ryotaro Arita, and Hiroaki Kusunose, Symmetry-adapted closest Wannier modeling based on complete multipole basis set, Phys. Rev. B 112, 035116 (2025).
> DOI: https://doi.org/10.1103/2s5q-p42x
> [2] 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.<br>
> [3] Taisuke Ozaki, Closest Wannier functions to a given set of localized orbitals, Phys. Rev. B 110, 125115, (2024).
> DOI: https://doi.org/10.1103/PhysRevB.110.125115.
- **Authors**: Rikuto Oiwa
- **Installation**: SymClosestWannier can be installed from PyPI using pip on Python >= 3.9:
```
pip install symclosestwannier
```
You can also visit [PyPI](https://pypi.org/project/symclosestwannier/) or [GitHub](https://github.com/CMT-MU/SymClosestWannier/) to download the source.
- **Citing SymClosestWannier**: If you are using SymClosestWannier in your scientific research, please help our scientific visibility by citing our work:
> [1] Rikuto Oiwa, Akane Inda, Satoru Hayami, Takuya Nomoto, Ryotaro Arita, and Hiroaki Kusunose, Symmetry-adapted closest Wannier modeling based on complete multipole basis set, Phys. Rev. B 112, 035116 (2025).
> DOI: https://doi.org/10.1103/2s5q-p42x
> [2] 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.<br>
> [3] Taisuke Ozaki, Closest Wannier functions to a given set of localized orbitals, Phys. Rev. B 110, 125115, (2024).
> DOI: https://doi.org/10.1103/PhysRevB.110.125115.
- **Requirements**:
- Symmetry-Adapted Multipole Basis (SAMB) for molecular or crystal are optionally generated by [MultiPie](https://github.com/CMT-MU/MultiPie).
- MultiPie library optionally requires [TeXLive](https://www.tug.org/texlive/) environment to create LaTeX and PDF files.
- Molecular or crystal structure files are optionally generated by [QtDraw](https://github.com/CMT-MU/QtDraw).
- **See also**:
- [user guide](https://github.com/CMT-MU/SymClosestWannier/docs/src/manual.pdf).
- [tutorial](https://cmt-mu.github.io/SymClosestWannierTutorial/)
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"description": "# [SymClosestWannier](https://cmt-mu.github.io/SymClosestWannier/)\n\n- **Overview**:\n A Python library to create Symmetry-adapted Closest Wannier (SymCW) tight-binding models [1] based on the Symmetry-Adapted Multipole Basis (SAMB) [2] and the Closest Wannier formalism developed by Taisuke Ozaki [3].\n\n > [1] Rikuto Oiwa, Akane Inda, Satoru Hayami, Takuya Nomoto, Ryotaro Arita, and Hiroaki Kusunose, Symmetry-adapted closest Wannier modeling based on complete multipole basis set, Phys. Rev. B 112, 035116 (2025).\n > DOI: https://doi.org/10.1103/2s5q-p42x\n \n > [2] Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B 107, 195118 (2023).\n > DOI: https://doi.org/10.1103/PhysRevB.107.195118.<br>\n \n > [3] Taisuke Ozaki, Closest Wannier functions to a given set of localized orbitals, Phys. Rev. B 110, 125115, (2024).\n > DOI: https://doi.org/10.1103/PhysRevB.110.125115.\n\n- **Authors**: Rikuto Oiwa\n\n- **Installation**: SymClosestWannier can be installed from PyPI using pip on Python >= 3.9:\n ```\n pip install symclosestwannier\n ```\n You can also visit [PyPI](https://pypi.org/project/symclosestwannier/) or [GitHub](https://github.com/CMT-MU/SymClosestWannier/) to download the source.\n\n- **Citing SymClosestWannier**: If you are using SymClosestWannier in your scientific research, please help our scientific visibility by citing our work:\n\n > [1] Rikuto Oiwa, Akane Inda, Satoru Hayami, Takuya Nomoto, Ryotaro Arita, and Hiroaki Kusunose, Symmetry-adapted closest Wannier modeling based on complete multipole basis set, Phys. Rev. B 112, 035116 (2025).\n > DOI: https://doi.org/10.1103/2s5q-p42x\n \n > [2] Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B 107, 195118 (2023).\n > DOI: https://doi.org/10.1103/PhysRevB.107.195118.<br>\n \n > [3] Taisuke Ozaki, Closest Wannier functions to a given set of localized orbitals, Phys. Rev. B 110, 125115, (2024).\n > DOI: https://doi.org/10.1103/PhysRevB.110.125115.\n\n- **Requirements**:\n - Symmetry-Adapted Multipole Basis (SAMB) for molecular or crystal are optionally generated by [MultiPie](https://github.com/CMT-MU/MultiPie).\n - MultiPie library optionally requires [TeXLive](https://www.tug.org/texlive/) environment to create LaTeX and PDF files.\n - Molecular or crystal structure files are optionally generated by [QtDraw](https://github.com/CMT-MU/QtDraw).\n\n- **See also**:\n - [user guide](https://github.com/CMT-MU/SymClosestWannier/docs/src/manual.pdf).\n - [tutorial](https://cmt-mu.github.io/SymClosestWannierTutorial/)\n\n",
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