dftk.jl
https://github.com/juliamolsim/dftk.jl
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Help out
- Issues
- Fast Bessel transform?
- PAW
- `compute_bands` doesn't work for a non-atomic system in 3D.
- Threading + MPI
- Custom pseudopotential identifier fails on irrfbz_path
- Lattice symmetries
- Document symmetries differences wrt other codes
- Exact exchange status
- Consistently employ n_bands_converge
- Maybe plot non-converged bands differently
- Docs
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