Quantum ESPRESSO Hands-on Workshop

Teaching Assistant for hands-on exercises on Quantum ESPRESSO at the Evolution of Electronic Structure and Experimental Realization (EESTER) 2018 workshop, organized by SRMIST and IIT Madras.

Topics Covered

• Introduction to density functional theory (DFT)
• Running self-consistent calculations in Quantum ESPRESSO
• Band structure and density of states calculations
• Structural optimization and phonon calculations