Marnik Bercx

> I think a pre-relax could make sense as long as it is optional. Were you thinking of just a single PwBaseWorkChain with some loose convergence parameters? And as long...

Found the example `PwRelaxWorkChain` from above again. Basically the calculation had _barely_ met the pressure thresholds in the second relaxation, to then _just_ fail to meet the threshold in the...

@sphuber still found a flaw in the current implementation (i.e. the parsing expected `fixed_coords` lowercase) and added a test. @AriannaCantarella maybe you can give this one a test for your...

@sphuber: As a side note: what should the "best practises" for validator methods be? i.e. do you agree with the following: 1. We add them as a `classmethod` or `staticmethod`...

@sphuber this has been tested in the field by @AriannaCantarella. If you could give one final sign off on this one I'll then rebase https://github.com/aiidateam/aiida-quantumespresso/pull/818 and we can merge that...

Probably not entirely precise in its description anymore, but still relevant considering our woefully outdated docs. Assigned the correct label so I can pick it up in a next round...

I believe this is fixed by https://github.com/aiidateam/aiida-quantumespresso/pull/985. Feel free to reopen in case I've missed something.

> One comment on this. Should we try to restart form the charge density of the previous run? I'm quite sure that this will speed up convergence of the later...

@sphuber I found this `get_scf_accuracy` method, but don't see it actually being used anywhere? It just has a bunch of tests. I also don't immediately understand it's use, so if...

> So instead of giving it the Old Yeller treatment and take it out back Haha, I may have been a little trigger-happy on this one, apologies @d-tomerini! It's definitely...