Related Issues (20)
- Rounding issues cause bad wannier interface HOT 4
- unit and equation of calculated force HOT 2
- how to customize/define an xc functional HOT 2
- Multicomponent HOT 4
- Minus sign in Fourier transform of projectors HOT 6
- Unexpected error when using Crystallographic Information Framework (CIF) File Input HOT 5
- Use TestItemRunner.jl for managing tests
- Some characters in `https://docs.dftk.org/dev/developer/symmetries/#Crystal-symmetries` are not rendered HOT 11
- Elastic constants HOT 7
- ExtXYZ segfault HOT 1
- Stresses need an unreasonable amount of memory and runtime
- Space group numbers and symmetries
- Fix phase when possible HOT 2
- Make sure guess_density returns something with correct total charge
- Include `Manifest.toml` in the repo? HOT 2
- Use BenchmarkCI to automatically detect major runtime regressions HOT 3
- Gpu CI Failure HOT 2
- Maybe plot non-converged bands differently HOT 8
- Exact exchange status
- Document symmetries differences wrt other codes HOT 2
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