https://github.com/aiidaplugins/aiida-dftk
AiiDA plugin for DFTK
https://github.com/aiidaplugins/aiida-dftk
Last synced: about 1 year ago
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AiiDA plugin for DFTK
- Host: GitHub
- URL: https://github.com/aiidaplugins/aiida-dftk
- Owner: aiidaplugins
- License: mit
- Created: 2022-06-24T15:31:56.000Z (almost 4 years ago)
- Default Branch: main
- Last Pushed: 2025-01-15T10:52:39.000Z (over 1 year ago)
- Last Synced: 2025-03-23T00:31:43.128Z (about 1 year ago)
- Language: Python
- Size: 20 MB
- Stars: 3
- Watchers: 6
- Forks: 0
- Open Issues: 5
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# AiiDA-DFTK Plugin
## Overview
This is an [AiiDA](https://www.aiida.net/) plugin
for [DFTK](https://docs.dftk.org/stable/),
providing support from the AiiDA side to integrate DFTK seamlessly.
**Note:** For complete integration of DFTK with the AiiDA ecosystem,
the [AiidaDFTK](https://github.com/mfherbst/AiidaDFTK.jl) plugin
is also required for the Julia side.
See the [setup documentation](docs/source/1-setup.md).
## Documentation
There are four documentation files available to guide you through the setup
and usage of the AiiDA-DFTK plugin:
1. [**Set-up:**](docs/source/1-setup.md)
Learn how to set up the AiiDA-DFTK plugin.
2. [**Calculations:**](docs/source/2-calculation.md)
Discover how to run DFTK calculations using AiiDA.
3. [**Common Workflow:**](docs/source/3-common-workflow.md)
Explore how to run a DFTK calculation using AiiDA's common workflow system.
## Contact
AiiDA-DFTK is developed and maintained by:
- **Yihan Wu**: yihan.wu@epfl.ch
- **Austin Zadoks**: austin.zadoks@epfl.ch
- **Junfeng Qiao**: junfeng.qiao@epfl.ch