Hands-on: DFT in Practice - Advanced Quantum ESPRESSO Tutorial - Lecture 2

Dive into an advanced Quantum ESPRESSO tutorial focusing on Hubbard and Koopmans functionals from linear response. Explore key concepts such as density functional theory (DFT), connection mapping, local density approximation, pseudopotentials, and band structures. Learn to perform calculations using PBE functionals, optimize cutoff energies, and analyze band gaps. Gain hands-on experience with Quantum Desktop, performing self-consistent field (SCF) calculations, and implementing parallelization techniques. Discover advanced simulation methods, including symmetry operations, hybrid functionals, and range separation. Master the art of postprocessing and plotting results, while understanding the intricacies of input files, prefixes, and nested loops. This comprehensive tutorial equips you with practical skills to conduct sophisticated quantum mechanical simulations and interpret their outcomes.