abinitio-tutorial

Tutorial for first-principles calculation of electronic band structure

Resources

Here is a list of resources on the density functional theory as well as tutorials on Quantum ESPRESSO.

Density functional theory

• A bird's-eye view of density-functional theory: an accessible introductory article to the DFT and Khon-Sham equations. Arxiv:0211443
• Castep workshop lectures: the beginning few lectures provide great notes on the philosophy and the proper way to do first-principles calculations of material properties
• DENSITY FUNCTIONAL THEORY: A Practical Introduction: a short and book on DFT where the first few chapters provide a very readable introduction to the DFT.

Quantum ESPRESSO tutorials

• Quantum ESPRESSO documentations: the most reliable source of information on the QE but not as much accessible.
• Quantum ESPRESSO workshops: a list of available lecture notes on the QE website on how to setup and run DFT calculations in Quantum ESPRESSO.

Online Courses and video lectures

• Online course on Computational Materials Physics (http://compmatphys.epotentia.com)