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Piezoelectric Properties (1 sub-skills: piezoelectric-tensor)
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| name | piezoelectric |
| description | Piezoelectric Properties (1 sub-skills: piezoelectric-tensor) |
| Skill | Path | Description |
|---|---|---|
| Piezoelectric Tensor | piezoelectric-tensor/ | Compute the full piezoelectric stress tensor e_ij via Berry phase polarization under finite strain using Quantum ESPRESSO. Covers clamped-ion and relaxed-ion contributions. |
lberry=.true.), differentiate to get e_ij = dP_i/deps_j. Gold-standard DFT approach.