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Dielectric analysis

Skill chatmaterials/dielectric-analysis

Use when the task is to analyze dielectric and optical-response quantities from DFT results, including dielectric tensors, Born effective charges, optical spectra, high-k versus transparency tradeoff descriptors, application-mode candidate ranking, and compact markdown reports from finished calculations.From its SKILL.md

Install
npx -y skills add chatmaterials/dielectric-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

1.8 KB, 293 tokens by cl100k_base, as published. Nobody here has run it

Dielectric Analysis

Use this skill for dielectric and optical-response post-processing rather than generic workflow setup.

When to use

  • summarize a static or high-frequency dielectric tensor
  • inspect Born effective charges
  • summarize a simple optical spectrum
  • derive compact high-k versus transparency tradeoff descriptors such as energy-storage and polarity scores
  • rank multiple dielectric candidates with balanced, transparent, or high-k screening modes
  • write a compact dielectric-analysis report from existing calculations

Use the bundled helpers

  • scripts/analyze_dielectric_tensor.py Summarize a dielectric tensor, anisotropy measures, and a compact dielectric class.
  • scripts/analyze_born_charges.py Summarize Born effective charge tensors, isotropic averages, and anomalous-charge labels.
  • scripts/analyze_optical_response.py Summarize a simple optical spectrum, identify visible-range peaks, and estimate a transparency hint.
  • scripts/compare_dielectric_candidates.py Rank multiple dielectric candidates with balanced, transparent, or high-k screening modes.
  • scripts/export_dielectric_report.py Export a markdown dielectric-analysis report.

Guardrails

  • Distinguish raw tensor extraction from deeper lattice-dynamical interpretation.
  • Treat simple optical summaries as descriptors, not full spectroscopy analysis.
  • State clearly when the analysis is a compact summary rather than a full dielectric workflow.

What ships with it: 23 files

24.9 KB alongside SKILL.md, 6 of them executable

agents/

fixtures/

references/

scripts/

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