Open online course on DFT, with simultaneous hands-on training on Quantum ESPRESSO. Available at any time for self-paced study. Yearly supervised edition from September to …

I have tried to make videos in a way that ordinary people who are not familiar with Quantum Espresso can understand in common language, I am sorry if there is any error in these videos, …

Electronic density of states is an important property of a material. Here we continue with our Aluminum example. Here we will calculate k-resolved density of states for silicon. First we …

In this set of tutorials, you will learn how to run the essential calculations based on density functional theory as implemented in QE on JHU-MARCC, a shared computing facility.

Quantum Espresso Tutorial Find the files in this tutorial on our GitHub! Quantum Espresso is a software suite for ab initio quantum chemistry methods of electronic-structure calculation and …

2.6.4.1 External parameters. 2.6.4.2 Functionals with partial output. 2.6.4.3 MGGA Functionals that depend on the Laplacian of the density. 2.6.4.4 Other functionals. About this document ...

This repository provides various resources to aid you in using Quantum ESPRESSO. These resources include tutorials, links to hands-on sessions from external websites, bash scripts, …

These examples show how to run Quantum ESPRESSO through the AMS driver. All examples can be run from the command-line and most of them are also available in …

Once you finish this course, Quantum Espresso will look easy. Not just the technical aspects, it also provides physical insights necessary to write a paper.

Tutorial: the code Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the atomic scale