https://github.com/pranabdas/espresso
Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
https://github.com/pranabdas/espresso
density-functional-theory dft first-principles-calculations high-performance-computing hpc materials-modelling quantum-espresso tutorial wannier
Last synced: 9 months ago
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Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
- Host: GitHub
- URL: https://github.com/pranabdas/espresso
- Owner: pranabdas
- Created: 2017-08-15T02:43:01.000Z (over 8 years ago)
- Default Branch: main
- Last Pushed: 2025-04-13T02:17:46.000Z (10 months ago)
- Last Synced: 2025-04-13T03:25:53.541Z (10 months ago)
- Topics: density-functional-theory, dft, first-principles-calculations, high-performance-computing, hpc, materials-modelling, quantum-espresso, tutorial, wannier
- Language: Jupyter Notebook
- Homepage: https://pranabdas.github.io/espresso/
- Size: 54.2 MB
- Stars: 128
- Watchers: 1
- Forks: 47
- Open Issues: 5
-
Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
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](https://github.com/pranabdas/espresso/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](
https://github.com/pranabdas/espresso/issues). Please refer to the release notes
for more details on how to install.