dftworks

Use for selecting and running DFTWorks validation and regression checks after code changes in pw, workflow, control, crystal, or pspot. Map touched areas to the lightest sufficient matrix: parser/unit tests, host or Docker cargo check for pw, phase12 regression, spin MPI parity, HSE06 regression, Hubbard +U regression, memory_estimate smoke, symmetry verification, workflow pipeline checks, and targeted Wannier example runs.

Use for implementing and validating DFTWorks runtime-path fixes in pw, control, crystal, pspot, restart/checkpoint, or output/finalization code. Follow the repo's patterns for replacing panics with Result-based boundaries, preserving MPI-safe shutdown, and validating changes with host tests plus Docker cargo check for pw when MPI is unavailable.

Use for code reviews of DFTWorks runtime-path changes in pw, control, crystal, pspot, restart/checkpoint, or output/finalization logic. Focus on swallowed errors, panic-based input loading, unsupported-mode leaks, checkpoint/export correctness, exit-code behavior, and validation gaps.