Whom to cite?

If you use wulfric in a your work, please cite it

wulfric v<version>, wulfric.org.

@online{wulfric,
    author = {Andrey Rybakov},
    title  = {wulfric v<version>},
    year   = {2023},
    url    = {wulfric.org},
}

Dependency citations

Wulfric is using the work of other authors in some of its methods.

• If you use functions that depend on spglib, please cite

  Togo, A., Shinohara, K. and Tanaka, I., 2024.
  Spglib: a software library for crystal symmetry search.
  Science and Technology of Advanced Materials: Methods, 4(1), p.2384822.
  

  @article{Togo2024,
      title = {Spglib: a software library for crystal symmetry search},
      volume = {4},
      ISSN = {2766-0400},
      url = {http://dx.doi.org/10.1080/27660400.2024.2384822},
      DOI = {10.1080/27660400.2024.2384822},
      number = {1},
      journal = {Science and Technology of Advanced Materials: Methods},
      publisher = {Informa UK Limited},
      author = {Togo,  Atsushi and Shinohara,  Kohei and Tanaka,  Isao},
      year = {2024},
      month = oct
  }
  

• If you use convention of Setyawan and Curtarolo (convention="SC"), please cite:

  Setyawan, W. and Curtarolo, S., 2010.
  High-throughput electronic band structure calculations: Challenges and tools.
  Computational materials science, 49(2), pp. 299-312.
  

  @article{Setyawan2010,
      title = {High-throughput electronic band structure calculations: Challenges and tools},
      volume = {49},
      ISSN = {0927-0256},
      url = {http://dx.doi.org/10.1016/j.commatsci.2010.05.010},
      DOI = {10.1016/j.commatsci.2010.05.010},
      number = {2},
      journal = {Computational Materials Science},
      publisher = {Elsevier BV},
      author = {Setyawan,  Wahyu and Curtarolo,  Stefano},
      year = {2010},
      month = aug,
      pages = {299-312}
  }
  

• If you use convention of Hinuma, Pizzi, Kumagai, Oba, Tanaka (convention="HPKOT"), please cite:

  Hinuma, Y., Pizzi, G., Kumagai, Y., Oba, F. and Tanaka, I., 2017.
  Band structure diagram paths based on crystallography.
  Computational Materials Science, 128, pp.140-184.
  

  @article{Hinuma2017,
      title = {Band structure diagram paths based on crystallography},
      volume = {128},
      ISSN = {0927-0256},
      url = {http://dx.doi.org/10.1016/j.commatsci.2016.10.015},
      DOI = {10.1016/j.commatsci.2016.10.015},
      journal = {Computational Materials Science},
      publisher = {Elsevier BV},
      author = {Hinuma,  Yoyo and Pizzi,  Giovanni and Kumagai,  Yu and Oba,  Fumiyasu and Tanaka,  Isao},
      year = {2017},
      month = feb,
      pages = {140-184}
  }
  

• If you use wulfric.cell.get_niggli(..., implementation="wulfric"), please cite

  Křivý, I. and Gruber, B., 1976.
  A unified algorithm for determining the reduced (Niggli) cell.
  Acta Crystallographica Section A: Crystal Physics, Diffraction,
  Theoretical and General Crystallography,
  32(2), pp.297-298.
  

  and

  Grosse-Kunstleve, R.W., Sauter, N.K. and Adams, P.D., 2004.
  Numerically stable algorithms for the computation of reduced unit cells.
  Acta Crystallographica Section A: Foundations of Crystallography,
  60(1), pp.1-6.
  

  @article{Kiv1976,
      title = {A unified algorithm for determining the reduced (Niggli) cell},
      volume = {32},
      ISSN = {0567-7394},
      url = {http://dx.doi.org/10.1107/S0567739476000636},
      DOI = {10.1107/s0567739476000636},
      number = {2},
      journal = {Acta Crystallographica Section A},
      publisher = {International Union of Crystallography (IUCr)},
      author = {Křivý,  I. and Gruber,  B.},
      year = {1976},
      month = mar,
      pages = {297-298}
  }
  
  @article{GrosseKunstleve2003,
      title = {Numerically stable algorithms for the computation of reduced unit cells},
      volume = {60},
      ISSN = {0108-7673},
      url = {http://dx.doi.org/10.1107/S010876730302186X},
      DOI = {10.1107/s010876730302186x},
      number = {1},
      journal = {Acta Crystallographica Section A Foundations of Crystallography},
      publisher = {International Union of Crystallography (IUCr)},
      author = {Grosse-Kunstleve,  R. W. and Sauter,  N. K. and Adams,  P. D.},
      year = {2003},
      month = dec,
      pages = {1-6}
  }