...
- try special metric in reciprocal space
- change number of steps in rmm-diis: https://wiki.fysik.dtu.dk/gpaw/devel/projects/rmmdiis.html
(jussi also suggested this) - aj thought having a way of changing calculator/mixer parameters mid-SCF loop would be very valuable, and would require only very high-level coding.
- aj/thomas thought that slow-cg-at-start followed by fast-rmm-diis-later might help
- thomas thought looking at the problematic convergence problem behavior might help guide us (e.g. "oscillations" or "blowup")
- dacapo/gpaw-pw "binary search"
- aj thought having a way of changing calculator/mixer parameters mid-SCF loop would be very valuable, and would require only very high-level coding.