User’s guide
This is the AiiDA-FLEUR user’s guide.
- Getting started
- AiiDA-FLEUR Data Plugins
- AiiDA-FLEUR Calculations
- AiiDA-FLEUR WorkChains
- General design
- Workchain classification
- Basic (Technical) Workchains
- More advanced (Scientific) Workchains
- Fleur initial core-level shifts workflow
- Fleur core-hole workflow
- Fleur Spin-Spiral Dispersion workchain
- Fleur Dzyaloshinskii–Moriya Interaction energy workchain
- Fleur Magnetic Anisotropy Energy workflow
- Fleur Spin-Spiral Dispersion Converge workchain
- Fleur Magnetic Anisotropy Energy Converge workchain
- Fleur Create Magnetic Film workchain
- Fleur crystal field workflow
- The command line interface (CLI)
- Tools
- Tutorials
- Hints/FAQ
- Reference of Exit codes