Citing

If you use minelastic in published work, please cite the paper that introduces the method:

S. I. Simak and U. Singh, A general algorithm for minimal uncoupled stress-strain calculations of elastic constants, arXiv:2610.11733 (2026).

@misc{simak2026minimal,
  title         = {A General Algorithm for Minimal Uncoupled Stress--Strain Calculations of Elastic Constants},
  author        = {Simak, Sergei I. and Singh, Utkarsh},
  year          = {2026},
  eprint        = {2610.11733},
  archivePrefix = {arXiv},
  primaryClass  = {cond-mat.mtrl-sci},
  doi           = {10.48550/arXiv.2610.11733},
  url           = {https://arxiv.org/abs/2610.11733}
}

The repository also contains a CITATION.cff file. GitHub shows it as "Cite this repository".

If you use the relaxed-ion or piezoelectric route (--ionic), the Berry-phase piezoelectric tensor, or the finite-temperature averaging, please also cite the original methods:

• X. Wu, D. Vanderbilt and D. R. Hamann, Phys. Rev. B 72, 035105 (2005): the ionic contributions from force constants, internal strain and Born charges;
• D. Vanderbilt, J. Phys. Chem. Solids 61, 147 (2000): the proper piezoelectric response.

minelastic uses spglib for the symmetry analysis and ASE for structures and calculators.