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References#

How to cite FHI-vibes?#

Knoop et al., (2020). FHI-vibes: Ab Initio Vibrational Simulations. Journal of Open Source Software, 5(56), 2671

@article{Knoop2020,
  doi = {10.21105/joss.02671},
  url = {https://doi.org/10.21105/joss.02671},
  year = {2020},
  publisher = {The Open Journal},
  volume = {5},
  number = {56},
  pages = {2671},
  author = {Florian Knoop and Thomas A. R. Purcell and Matthias Scheffler and Christian Carbogno},
  title = {FHI-vibes: _Ab Initio_ Vibrational Simulations},
  journal = {Journal of Open Source Software}
}

Work that was performed using FHI-vibes#

"Anharmonicity measure for materials"#

F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Materials 4, 083809 (2020), arXiv:2006.14672

@article{PhysRevMaterials.4.083809,
title = {Anharmonicity measure for materials},
author = {Knoop, Florian and Purcell, Thomas A. R. and Scheffler, Matthias and Carbogno, Christian},
journal = {Phys. Rev. Materials},
volume = {4},
issue = {8},
pages = {083809},
numpages = {12},
year = {2020},
month = {Aug},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.4.083809},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.4.083809}
}

"Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation"#

F. Knoop, M. Scheffler, and C. Carbogno, Phys. Rev. B, 107(22), 224304 (2023), arXiv:2209.01139

@article{PhysRevB.107.224304,
  title = {Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation},
  author = {Knoop, Florian and Scheffler, Matthias and Carbogno, Christian},
  journal = {Phys. Rev. B},
  volume = {107},
  issue = {22},
  pages = {224304},
  numpages = {12},
  year = {2023},
  month = {Jun},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevB.107.224304},
  url = {https://link.aps.org/doi/10.1103/PhysRevB.107.224304}
}

"Anharmonicity in Thermal Insulators: An Analysis from First Principles"#

F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Lett. 130, 236301 (2023), arXiv:2209.12720

@article{PhysRevLett.130.236301,
  title = {Anharmonicity in Thermal Insulators: An Analysis from First Principles},
  author = {Knoop, Florian and Purcell, Thomas A. R. and Scheffler, Matthias and Carbogno, Christian},
  journal = {Phys. Rev. Lett.},
  volume = {130},
  issue = {23},
  pages = {236301},
  numpages = {6},
  year = {2023},
  month = {Jun},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevLett.130.236301},
  url = {https://link.aps.org/doi/10.1103/PhysRevLett.130.236301}
}