Since this runs in the CI we need to be a little conservative on what we time, some ideas:
Systems:
- Something with many k-points but low Ecut
- Something with many symmetries
- Something with few k-points and higher Ecut
Tasks:
- A Hamiltonian application
- A single SCF step
- Density computation and symmetrisation
- Basis construction
- A Sternheimer solve
- A very crude response solve / derivative computation using AD
Probably with timing an SCF step and a single application of ε^\dagger for response on a not too trivial system we already do the key 80%.