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.

Name		Name	Last commit message	Last commit date
Latest commit History 93 Commits
.devcontainer		.devcontainer
.github/workflows		.github/workflows
docs		docs
notebooks		notebooks
resources		resources
scripts		scripts
src		src
static		static
.gitignore		.gitignore
Dockerfile		Dockerfile
README.md		README.md
babel.config.js		babel.config.js
cspell.json		cspell.json
docusaurus.config.js		docusaurus.config.js
package-lock.json		package-lock.json
package.json		package.json
requirements.txt		requirements.txt
sidebars.js		sidebars.js

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Density Functional Theory using Quantum Espresso

Quantum ESPRESSO Installer

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