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.
arXiv comment22 pages lecture notes based on ToolBoX course at the University of Geneva, March 2020
References in corpus (4)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Thermal Contraction and Disordering of the Al(110) Surface
- Three-band tight-binding model for monolayers of group-VIB transition metal dichalcogenides
- Precision and efficiency in solid-state pseudopotential calculations