Comments (3)
Fixed in #42, was definitely me being stupid
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No I don't. Will be fun more fun once we implement it :). I'm actually on David's thing right now playing with it and ran into the same issue 😄.
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Possibly just me being stupid in #42...
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Related Issues (20)
- 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
- Change of dimension in last kpoint when using non-converging scf HOT 4
- GPU broken HOT 6
- Check normalization of pseudo wave functions
- Custom pseudopotential identifier fails on irrfbz_path HOT 1
- Threading + MPI HOT 6
- `compute_bands` doesn't work for a non-atomic system in 3D. HOT 2
- Eigensolver not converged HOT 1
- Fast Bessel transform?
- PAW
- Incompatible with TestItemRunner 1.0 HOT 1
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