Magesty.jl
Magesty.jl (MAGnetic model ESTimator) is a Julia package for construction of Spin-Cluster Expansion (SCE) [1] model. It provides comprehensive tools for:
- Construction of symmetry-adapted SCE basis set
- Derivation of SCE coefficients
- Tools for spin configuration sampling
Documentation
| Page | Description |
|---|---|
| Installation | Package installation and PATH setup for CLI tools |
| Tutorial | Step-by-step guide for first-time users |
| Examples | Code examples for common tasks |
| Input Keys | Full reference for TOML configuration keys |
| API Reference | Detailed documentation of all exported functions and types |
| Tools | Utility scripts in the tools/ directory |
| Technical Notes | Theory behind the SCE formalism |
| Tips | Practical tips |
Tools
Magesty.jl includes a comprehensive set of utility tools in the tools/ directory for:
- Data Processing: Convert between different file formats (VASP, TOML, XML)
- Analysis: Compare energies, perform cross-validation, analyze magnetic moments
- Visualization: Create scatter plots for energy/torque fit quality
- Sampling: Generate spin configurations using Mean-Field Approximation
- Advanced Analysis: Calculate micromagnetics parameters
See the Tools page for detailed documentation of all available tools.
Citation
If you use Magesty.jl in your research, please cite:
Tomonori Tanaka and Yoshihiro Gohda, "General spin models from noncollinear spin density functional theory and spin-cluster expansion", arXiv:2512.04458
References
- R. Drautz and M. Fähnle, "Spin-cluster expansion: Parametrization of the general adiabatic magnetic energy surface with ab initio accuracy", Phys. Rev. B 69, 104404 (2004). DOI: 10.1103/PhysRevB.69.104404