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.
KCW: Implementation of Koopmans Functionals Based on DFPT - Advanced Quantum ESPRESSO Tutorial 2022
Overview
Syllabus
QE tutorial 2022 - KCW: an implementation of Koopmans functionals based on DFPT - Nicola Colonna
Taught by
Materials Cloud
Related Courses
-
Koopmans Functionals in Practice - QE Tutorial 2022
-
Advanced Quantum ESPRESSO Tutorial: Hubbard and Koopmans Functionals - Day 2 Discussion
-
Koopmans Spectral Functionals: Implementation in Periodic Boundary Conditions - QE School 2023
-
Koopmans Functionals in Practice: Minimisation and Screening Coefficients - Lecture 4.3
-
Koopmans Functionals: Basic Concepts - QE School 2023 - Lecture 4.1
-
Electronic and Optical Spectra from Optimally-Tuned Functionals - QE Tutorial 2022
