abinit-analysis

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.