/espresso

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

Primary LanguageJupyter Notebook

Density Functional Theory using Quantum Espresso

Deploy gh-pages status

This repository contains the various input files and jupyter notebooks (for post processing and plotting) of the project. Please follow the tutorial at https://pranabdas.github.io/espresso/

Quantum ESPRESSO Installer

Pre-built binaries of Quantum ESPRESSO are included in the repository releases for easy installation. Currently, only Linux .deb packages are provided. Note that these packages are not well tested. If you find problems, you may open issues. Please refer to the release notes for more details on how to install.