dftk.jl
https://github.com/juliamolsim/dftk.jl
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Help out
- Issues
- Check normalization of pseudo wave functions
- Custom pseudopotential identifier fails on irrfbz_path
- GPU broken
- Calculator State
- Virial interface for AtomsCalculator
- Using `Suppressor` to silence tests
- Lattice symmetries
- Document symmetries differences wrt other codes
- Projected density of states
- Add initial exact exchange implementation
- Docs
- not yet supported