AiiDA plugin for DFTK
Project description
AiiDA-DFTK Plugin
Overview
This is an AiiDA plugin for DFTK, providing support from the AiiDA side to integrate DFTK seamlessly.
Note: For complete integration of DFTK with the AiiDA ecosystem, the AiidaDFTK plugin is also required for the Julia side. See the setup documentation.
Documentation
There are four documentation files available to guide you through the setup and usage of the AiiDA-DFTK plugin:
- Set-up: Learn how to set up the AiiDA-DFTK plugin.
- Calculations: Discover how to run DFTK calculations using AiiDA.
- Common Workflow: Explore how to run a DFTK calculation using AiiDA's common workflow system.
Contact
AiiDA-DFTK is currently maintained by:
- Bruno Ploumhans: bruno.ploumhans@epfl.ch
Former authors:
- Yihan Wu: yihan.wu@epfl.ch
- Austin Zadoks: austin.zadoks@epfl.ch
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