A Python library for Symmetry-Adapted Closest Wannier (SymCW) Tight-Binding model based on Plane-Wave DFT calculation.
Project description
SymClosestWannier
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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
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Installation: SymClosestWannier can be installed from PyPI using pip on Python >= 3.9:
pip install symclosestwannier
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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:
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To Do:
- add function to read seedname.uHu, seedname.uIu files.
- add SHC, ME response functions.
- add lindhard function.
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