dftk.jl
https://github.com/juliamolsim/dftk.jl
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- Issues
- Fix Fermi level variation at zero temperature
- No way to plot bands written by `save_bands`
- Saving scfres to JSON should pretty-print
- Stress computation can use a lot of RAM
- Multi-threading multiplication with Hamiltonian blocks yields wrong results
- Store form factors
- Should `Model` directly subtype `AbstractSystem`?
- Fast Bessel transform?
- PAW
- `compute_bands` doesn't work for a non-atomic system in 3D.
- Docs
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