# Abinit Analysis

> Use when the task is to analyze completed or partially completed ABINIT results, including extracting total energies, convergence or restart status, comparing multiple ABINIT runs, and summarizing .abo outputs.

- Skill: `chatmaterials/abinit-analysis` (Agent Skill, multi-file: 4 files)
- Install (CLI): `npx skillmds@latest add chatmaterials/abinit-analysis`
- Raw SKILL.md: https://api.skillmd.com/api/skills/chatmaterials/abinit-analysis/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Productivity
- Author: chatmaterials (https://skillmd.com/u/chatmaterials)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/chatmaterials/abinit-analysis

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# ABINIT Analysis

Use this skill for post-run ABINIT result analysis rather than workflow setup.

## When to use

- analyze a completed or incomplete ABINIT run
- compare energies across multiple ABINIT directories
- summarize status from `.abi` and `.abo`
- write a compact report from existing ABINIT results

## Use the bundled helpers

- `scripts/analyze_abinit_result.py`
  Summarize a single ABINIT result directory.
- `scripts/compare_abinit_results.py`
  Compare multiple ABINIT result directories by energy and status.
- `scripts/analyze_abinit_dos.py`
  Extract DOS-oriented summary data from ABINIT DOS output.
- `scripts/analyze_abinit_band.py`
  Extract band-gap-oriented summary data from ABINIT band output.
- `scripts/export_analysis_report.py`
  Export a markdown analysis report from an ABINIT result directory.

## Guardrails

- Do not claim comparability when restart dependencies differ or runs are incomplete.
- Distinguish extracted quantities from scientific interpretation.