Magnetism Analysis

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.