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Transport analysis

Skill chatmaterials/transport-analysis

Use when the task is to analyze transport-relevant quantities from DFT-derived results, including carrier-type tendency, effective-mass estimates, simple DOS-informed transport trends, thermoelectric-style screening descriptors, bipolar-risk checks, multi-candidate ranking, and compact markdown reports from finished calculations.From its SKILL.md

Install
npx -y skills add chatmaterials/transport-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

2.0 KB, 311 tokens by cl100k_base, as published. Nobody here has run it

Transport Analysis

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

When to use

  • estimate whether the electronic structure suggests electron- or hole-like transport tendency
  • estimate an effective mass from a simple band-edge dispersion
  • summarize a transport trend from band-edge and DOS information
  • derive compact thermoelectric-style screening descriptors such as activation energy and transport quality score
  • estimate bipolar-conduction risk from the band gap and temperature
  • rank multiple candidate datasets with a compact screening heuristic
  • write a compact transport-analysis report from existing data

Use the bundled helpers

  • scripts/analyze_carrier_type.py Estimate a carrier-type tendency from a band structure and Fermi level.
  • scripts/analyze_effective_mass.py Estimate an effective mass from a simple band-edge dispersion.
  • scripts/analyze_transport_trend.py Summarize a simple transport trend from band-edge and DOS information and derive compact quality descriptors.
  • scripts/analyze_bipolar_risk.py Estimate a compact bipolar-conduction risk from the band gap and temperature.
  • scripts/compare_transport_candidates.py Rank multiple candidate datasets with a compact gap-plus-mass screening heuristic.
  • scripts/export_transport_report.py Export a markdown transport-analysis report.

Guardrails

  • Treat these outputs as compact descriptors, not a full Boltzmann transport workflow.
  • State the assumed Fermi level and occupied-band count explicitly.
  • Distinguish qualitative trend analysis from quantitative transport coefficients.

What ships with it: 23 files

28.7 KB alongside SKILL.md, 7 of them executable

agents/

fixtures/

references/

scripts/

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