| name | magnetism-analysis |
| description | Use when the task is to analyze magnetic DFT results, including total and local magnetic moments, magnetic-state classification, local-moment distribution descriptors, comparing ferromagnetic and antiferromagnetic states, mode-specific candidate ranking, and writing compact markdown reports from finished calculations. Supports VASP and QE-style outputs. |
Magnetism Analysis
Use this skill for magnetism-focused post-processing rather than generic workflow setup.
When to use
- extract total or local magnetic moments from finished calculations
- classify magnetic states as nonmagnetic-, ferro-, ferri-, or antiferromagnetic-like
- derive compact local-moment distribution and exchange-scale descriptors
- compare FM and AFM states by energy
- summarize magnetic-state ordering or energy splitting
- rank multiple magnetic candidates in ordered, compensated, or local-moment-focused modes
- write a compact magnetism-analysis report from finished calculations
Supported backends:
- VASP-like
OUTCAR
- QE-like
pw.x .out files with total magnetization
Use the bundled helpers
scripts/analyze_magnetic_state.py
Summarize a single magnetic-state calculation.scripts/compare_magnetic_states.py
Compare multiple magnetic-state calculations by energy and total moment.scripts/screen_magnetic_candidates.py
Rank multiple magnetic candidates by ground-state character, moment size, and magnetic energy splitting.scripts/export_magnetism_report.py
Export a markdown magnetism-analysis report.
Guardrails
- Do not interpret simple total-energy differences as a full magnetic model by themselves.
- Distinguish local-moment extraction from exchange-parameter fitting.
