DFT fundamentals: from theory to practice.
Hohenberg-Kohn-Sham theory; variational principle; Hellman-Feynman theorem and energy derivatives

Stefano Baroni

Recorded 16 January 2017 in Lausanne, Vaud, Switzerland

Course: High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA - ICTP Trieste, Jan 2017

Watched 1633 times.

 Watch