chatmaterials 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.pySummarize a dielectric tensor, anisotropy measures, and a compact dielectric class.scripts/analyze_born_charges.pySummarize Born effective charge tensors, isotropic averages, and anomalous-charge labels.scripts/analyze_optical_response.pySummarize a simple optical spectrum, identify visible-range peaks, and estimate a transparency hint.scripts/compare_dielectric_candidates.pyRank multiple dielectric candidates with balanced, transparent, or high-k screening modes.scripts/export_dielectric_report.pyExport 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.