Quantum ESPRESSO Runner Purpose Provides expert guidance on Quantum ESPRESSO DFT calculations, including input file management, pseudopotential selection, and advanced property calculations. Capabilities - Input file generation (pw.x, ph.x, pp.x) - Pseudopotential library management - Convergence testing automation - Wannier90 interface for tight-binding - Transport property calculations - Spin-orbit coupling handling Usage Guidelines 1. Input Generation : Create proper QE input files for pw.x, ph.x, pp.x 2. Pseudopotentials : Select appropriate pseudopotentials from libraries 3. Convergence…