dftk.jl
https://github.com/juliamolsim/dftk.jl
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Help out
- Issues
- Automatic guess of initial magnetic_moments
- Ultrasoft Pseudopotentials
- Tweak kinetic energy preconditionner
- Balancing strategy example
- Warning/auto wrapping for positions outside of the unit cell?
- Adaptive basis refinement
- `forces.jl` test fails
- Tweak GMRES for response
- Faster documentation building by decoupling Literate.jl and Documenter.jl
- Bands Unfolding Technique for DFTK.jl
- Docs
- not yet supported