name	mechanics-analysis
description	Use when the task is to analyze mechanics-relevant quantities from DFT results, including equation-of-state fits, EOS quality descriptors, bulk modulus estimates, elastic tensor summaries, elastic-stability heuristics, anisotropy and hardness descriptors, candidate ranking, stress-state interpretation, and compact markdown reports from finished calculations.

Mechanics Analysis

Use this skill for mechanics-oriented post-processing rather than generic workflow setup.

When to use

fit an energy-volume curve
estimate an equilibrium volume and bulk modulus
judge whether the EOS fit quality looks exact-like, good-fit-like, or noisy
summarize an elastic tensor
screen elastic stability heuristics, anisotropy, hardness, and ductility descriptors
rank multiple mechanics candidates with a compact bulk-plus-stability heuristic
interpret a stress tensor or stress state
write a compact mechanics-analysis report from existing calculations

scripts/analyze_equation_of_state.py Fit a simple quadratic equation of state and estimate bulk modulus plus fit quality descriptors.
scripts/analyze_elastic_tensor.py Summarize a 6x6 elastic tensor, estimate Voigt/Reuss/Hill moduli, and report stability, anisotropy, hardness, and ductility heuristics.
scripts/analyze_stress_state.py Summarize a stress tensor and estimate mean stress and a von Mises-like equivalent stress.
scripts/compare_mechanical_candidates.py Rank multiple cases with a compact bulk-plus-stability screening heuristic.
scripts/export_mechanics_report.py Export a markdown mechanics-analysis report.

Treat the simple EOS fit as a compact estimate, not a full published EOS treatment.
State whether the elastic stability criteria used are heuristic or rigorous.
Distinguish mean stress from a sign-convention-specific pressure.