dftk.jl
https://github.com/juliamolsim/dftk.jl
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Help out
- Issues
- Some characters in `https://docs.dftk.org/dev/developer/symmetries/#Crystal-symmetries` are not rendered
- Rewrite Wannier interface
- Multicomponents
- GPU-friendly G-vector optimizations and de-duplication of form factor calculation
- Blochpocalypse
- GPU performance issues
- Figure out an API for SCF / ground state algorithms
- Structure for term-wise quantities
- Possible grid issue with numerical pseudopotentials
- Document that it is not save to reuse SCF callbacks
- Docs
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