paper

A Practical Introduction to Density Functional Theory

arXiv:2011.09888

Abstract

These lecture notes contain a brief practical introduction to doing density functional theory calculations for crystals using the open source Quantum Espresso software. The level is aimed at graduate students who are studying condensed matter or solid state physics, either theoretical or experimental.

22 pages lecture notes based on ToolBoX course at the University of Geneva, March 2020