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