Information
Last Update:2022/07/13

Official site

https://github.com/giprayogo/SHRY

License

MIT license

Availability

Implemented in Python. It works on Mac, Linux, and Windows.

Core Developers
  • G.I. Prayogo (Japan Advanced Institute of Science and Technology)
  • K. Nakano (Japan Advanced Institute of Science and Technology, International School for Advanced Studies)
Target substance/model
  • Solid solutions
  • Alloy
Physical quantities that can be computedsymmetry-inequivalent crystal structures
Methodology

Density functional method

Parallelization

Not parallelized at present.

Related App
Related keywords
Document

SHRY: Application of Canonical Augmentation to the Atomic Substitution Problem, G.I. Prayogo*, A. Tirelli, K. Utimula, K. Hongo, R. Maezono, and K. Nakano*, J. Chem. Inf. Model., 62, 2909-2915 (2022).

Other