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H-wave

  • Openness:3 ★★★
  • Document quality:2 ★★☆

H-wave is a Python package for performing unrestricted Hartree-Fock (UHF) calculations and random phase approximation (RPA) calculations for itinerant electron systems. H-wave supports UHF calculations both in real- and wavenumber-spaces. H-wave supports one-body and two-body interactions in the Wannier90 format as inputs for H-wave, and thus users can solve ab initio effective Hamiltonians derived from  Wannier90/RESPACK calculations based on UHF and RPA methods.

Information
Last Update:2023/05/17

Official site

https://www.pasums.issp.u-tokyo.ac.jp/h-wave/en

License

GNU General Public License version 3（GPL v3）

Availability
  • macOS + python3 (brew)
  • Ubuntu Linux + python3 (miniconda)
Core Developers
  • Kazuyoshi Yoshimi (The Institute for Solid State Physics, The University of Tokyo)
  • Tatsumi Aoyama (The Institute for Solid State Physics, The University of Tokyo)
  • Yuichi Motoyama (The Institute for Solid State Physics, The University of Tokyo)
  • Takahiro Misawa (The Institute for Solid State Physics, The University of Tokyo)
  • Kota Ido (The Institute for Solid State Physics, The University of Tokyo)
  • Akito Kobayashi (Department of Physics, Nagoya University)
  • Taiki Kawamura (Department of Physics, Nagoya University)
  • Takeo Kato (The Institute for Solid State Physics, The University of Tokyo)
Target substance/model
  • extended Hubbard model
  • Ab initio effective Hamiltonians in the Wannier90 format
Methodology
  • unrestricted Hartree-Fock (UHF) approximation
  • random phase approximation (RPA)
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