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The density-functional toolkit, DFTK for short, is a collection of Julia routines for experimentation with plane-wave density-functional theory (DFT). The unique feature of this code is its emphasis on simplicity and flexibility with the goal of facilitating algorithmic and numerical developments as well as interdisciplinary collaboration in solid-state research.
Features
- DFTK is mostly developed as part of academic research
- Tutorials designed to help you learn
- Documentation available
- For experimentation with plane-wave density-functional theory (DFT)
- Emphasis on simplicity and flexibility
- With the goal of facilitating algorithmic and numerical developments
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Data VisualizationLicense
MIT LicenseFollow DFTK.jl
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