
from quantum.harness38
Expert guidance for running Quantum ESPRESSO's DFPT package for electron-phonon coupling and superconductivity calculations.
This skill transforms the agent into a specialized operator for Quantum ESPRESSO (QE). It manages the complex mechanics of DFPT (Density Functional Perturbation Theory) and EPC (Electron-Phonon Coupling) workflows, from input generation to result interpretation.
Use this skill when preparing, running, or debugging pw.x, ph.x, q2r.x, matdyn.x, and alpha2f.x. It is essential for calculating superconducting transition temperatures (Tc) and handling QMCPACK orbital generation.
run_epc_sbatch.template.sh).Specialized scientific research agents, Bash-capable agents (e.g., Claude Code, Codex)
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