菜单
Electron-Phonon Properties (4 sub-skills: deformation-potential, electronic-transport, elph-coupling, superconductivity)
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基于 SOC 职业分类
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| name | electron-phonon |
| description | Electron-Phonon Properties (4 sub-skills: deformation-potential, electronic-transport, elph-coupling, superconductivity) |
Skills for computing electron-phonon interactions and related transport properties using Quantum ESPRESSO and Python post-processing tools.
| Sub-Skill | Directory | Description |
|---|---|---|
| Electron-Phonon Coupling | elph-coupling/ | Full QE workflow for electron-phonon coupling constant lambda, Eliashberg spectral function alpha2F(omega), and superconducting Tc via McMillan/Allen-Dynes formula |
| Electronic Transport | electronic-transport/ | BoltzTraP2-based workflow for Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and ZT from QE band structures on dense k-grids |
