Interface tool from Wannier90 to RESPACK – wan2respack

kido902 / wan2respack_paper

Electronic structure (solid state physics)Strong correlation/effective modelsCC BY 4.0

Updated: 2023-08-23

Overview

wan2respack is the interface tool, which converts Wannier functions in the Wannier90 format into those used in RESPACK (the open-source software package for the derivation of the ab initio low-energy effective Hamiltonians.). This repository includes inputs and outputs used in the reference related with wan2respack.

URL: https://isspns-gitlab.issp.u-tokyo.ac.jp/kido902/wan2respack_paper
DOI: 10.1016/j.cpc.2023.108854
Citations: 11 (OpenAlex, as of 2026-10-05)
Authors: Kensuke Kurita, Takahiro Misawa, Kazuyoshi Yoshimi, Kota Ido, Takashi Koretsune
License: CC BY 4.0
Keywords: Wannier90Wannier functionslow-energy effective Hamiltonianmaximally localized Wannier functionsSrVO3La2CuO4high-temperature superconductors (keywords of the paper, from OpenAlex)
Category: Electronic structure (solid state physics), Strong correlation/effective models
References: K. Kurita, T. Misawa, K. Yoshimi, K. Ido, T. Koretsune, "Interface tool from Wannier90 to RESPACK: wan2respack", Computer Physics Communications 292, 108854 (2023)
Related software: wan2respack
Contact: ido__at__issp.u-tokyo.ac.jp (Please replace __at__ with @.)

Paper and citation

If you use this data, please cite the following paper.

Kensuke Kurita et al., "Interface tool from Wannier90 to RESPACK: wan2respack", Computer Physics Communications 292, 108854 (2023). https://doi.org/10.1016/j.cpc.2023.108854

Read the paper (open access) ↗

Show BibTeX

@article{Kurita_2023, title={Interface tool from Wannier90 to RESPACK: wan2respack}, volume={292}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/j.cpc.2023.108854}, DOI={10.1016/j.cpc.2023.108854}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Kurita, Kensuke and Misawa, Takahiro and Yoshimi, Kazuyoshi and Ido, Kota and Koretsune, Takashi}, year={2023}, month=Nov, pages={108854} }

Bibliographic details and the open-access link are from OpenAlex; the BibTeX is from doi.org (as registered by the publisher).

Links

💻 Open repository 📦 Download ZIP

README

Interface tool from Wannier90 to RESPACK – wan2respack

About

$\tt{wan2respack}$ is the interface tool, which converts Wannier functions in the $\tt{Wannier90}$ format into those used in $\tt{RESPACK}$ (the open-source software package for the derivation of the $ab$ $initio$ low-energy effective Hamiltonians.). This software is distributed under GNU GPL v3.0 and you can download it from the following GitHub page.

https://github.com/respack-dev/wan2respack

This repository includes inputs and outputs of the following paper related with $\tt{wan2respack}$.

K. Kurita, T. Misawa, K. Yoshimi, K. Ido, T. Koretsune, "Interface tool from Wannier90 to RESPACK: wan2respack", Comput. Phys. Commun. 292, 108854.

License

The outputs included in this repository are distributed under CC BY 4.0. We hope that you cite the paper mentioned above when you use the data.

Folder structure

  |--LICENSE         
  |--README.md       
  |
  |--data
      |
      |--La2CuO4.bct.666
      | |
      | |--qe_band          
      | |--reference_respack           
      | |--wan2respack  
      |
      |
      |--SrVO3.sc.666
        |
        |--qe_band          
        |--reference_respack           
        |--wan2respack

Note

Some inputs in this repository have been distributed on the GitHub page mentioned above.
We delete some scripts and results such as data.wfn and UNK files. Please contact us if you want to use them.

Contacts

Kota Ido (ido__at__issp.u-tokyo.ac.jp)
Kazuyoshi Yoshimi (k-yoshimi__at__issp.u-tokyo.ac.jp)
Takahiro Misawa (tmisawa__at__baqis.ac.cn)
Takashi Koretsune (koretsune__at__cmpt.phys.tohoku.ac.jp)

Please replace __at__ with @.

Source: https://isspns-gitlab.issp.u-tokyo.ac.jp/kido902/wan2respack_paper README

Activity

UpdatedLast updated: 2023-08-23 (3 years ago)