transport-properties
This skill group covers first-principles calculation of electronic transport properties using the Boltzmann transport equation (BTE) within the constant relaxation time approximation (CRTA). The workflow uses Quantum ESPRESSO for the underlying DFT calculation and BoltzTraP2 for solving the BTE. VASP-based workflows are also documented for sites with VASP access.
npx skills add majiayu000/claude-skill-registry --skill transport-properties --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
--- name: transport-properties description: Transport Properties (2 sub-skills: boltzmann-transport, kpoints-transport) --- # Transport Properties ## Overview This skill group covers first-principles calculation of electronic transport properties using the Boltzmann transport equation (BTE) within the constant relaxation time approximation (CRTA). The workflow uses Quantum ESPRESSO for the underlying DFT calculation and BoltzTraP2 for solving the BTE. VASP-based workflows are also documented for sites with VASP access. Transport properties computed include: Seebeck coefficient (thermopower), electrical conductivity (sigma/tau), electronic thermal conductivity (kappa_e/tau), power factor (S^2*sigma/tau), and the thermoelectric figure of merit ZT (when lattice thermal conductivity and relaxation time are provided externally). The workflow logic follows the standard DFT+BoltzTraP2 pipeline: converge SCF on a coarse k-grid, compute eigenvalues on a very dense uniform k-grid (NSCF), then feed the eigenvalues into BoltzTraP2 for Fourier interpolation and transport coefficient evaluation. ## Sub-Skills | Sub-Skill | Directory | Description | |---|---|---| | Boltzmann Transport | `boltzman
- Overview
- Sub-Skills
- Workflow Decision Guide
- Common Prerequisites
What does the transport-properties skill do?
This skill group covers first-principles calculation of electronic transport properties using the Boltzmann transport equation (BTE) within the constant relaxation time approximation (CRTA). The workflow uses Quantum ESPRESSO for the underlying DFT calculation and BoltzTraP2 for solving the BTE. VASP-based workflows are also documented for sites with VASP access.
How do I install it?
Run `npx skills add majiayu000/claude-skill-registry --skill transport-properties --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From majiayu000/claude-skill-registry, a repository with 534 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.