dftk.jl
https://github.com/juliamolsim/dftk.jl
Triage Issues!
When you volunteer to triage issues, you'll receive an email each day with a link to an open issue that needs help in this project. You'll also receive instructions on how to triage issues.
Triage Docs!
Receive a documented method or class from your favorite GitHub repos in your inbox every day. If you're really pro, receive undocumented methods or classes and supercharge your commit history.
not yet supported0 Subscribers
Add a CodeTriage badge to dftk.jl
Help out
- Issues
- Support 2D bandstructures
- Get local potential for each term type separately
- [WIP] Time-reversal symmetry for kpoint reduction
- Use time-reversal symmetry for orbitals at the gamma point
- Autodiff
- FourierTools
- LdosMixing for potential-based SCF
- Documentation of smearing options and its effect on energy and forces
- Setup performance tracking
- The kpoint symmetry and band plotting cleanup issue
- Docs
- not yet supported