...
- using a 2-Pt orthogonal-cell test system
- wrote real-density mixer
- calling dacapo mixer from GPAW, but only works for simple systems so far. Also comparing the two.
- calling mixer multiple times can break D_ap, which somehow has a reference embedded in it
- visualization work:
- residuals (2D temperature plot, one per z-slice)
- look at integrated-residual compared to "converged density" (one number per density)
...