KCW: Implementation of Koopmans Functionals Based on DFPT - Advanced Quantum ESPRESSO Tutorial 2022

KCW: Implementation of Koopmans Functionals Based on DFPT - Advanced Quantum ESPRESSO Tutorial 2022

Explore an advanced Quantum ESPRESSO tutorial focusing on the implementation of Koopmans functionals based on Density Functional Perturbation Theory (DFPT). Delve into the intricacies of KCW (Koopmans-compliant Wannier functions) as presented by Nicola Colonna in this 47-minute video. Learn about the theoretical foundations and practical applications of Hubbard and Koopmans functionals from a linear response perspective. This tutorial is part of a broader series on advanced Quantum ESPRESSO techniques, providing valuable insights for researchers and practitioners in computational materials science and quantum chemistry.