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Magnetism analysis

Skill chatmaterials/magnetism-analysis

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.From its SKILL.md

Install
npx -y skills add chatmaterials/magnetism-analysis

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

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SKILL.md

1.7 KB, 273 tokens by cl100k_base, as published. Nobody here has run it

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.

What ships with it: 26 files

28.7 KB alongside SKILL.md, 6 of them executable

agents/

fixtures/

references/

scripts/

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