Francisco Ramirez

Results 48 comments of Francisco Ramirez

I couldn't say if it is common, but what I can say is that this is not necessarily about avoiding doing or not doing the SCF again. The problem is...

Closing because IDK why github is not recognizing and autoclosing (maybe some setups in the repo missing?). Feel free to re-open if I'm mistaken.

> * [ ] Writing workflows - [Basics](https://aiida-tutorials.readthedocs.io/en/tutorial-2022-intro/sections/writing_workflows/index.html): I'll take care of these (Up to and including Debugging) > > * [ ] Writing workflows - [Advanced](https://aiida-tutorials.readthedocs.io/en/tutorial-2022-intro/sections/writing_workflows/index.html): @ramirezfranciscof can you...

I made a PR with a proof of concept, as you can see linked just above this comment. I explain there what changes I made and why I need them,...

Ok, this has suddenly dropped in priority since it is no longer a viable path for me to work this way with QE (After implementing this solution I came to...

Yes, something like htis is what I'm doing now. I'm creating a calcjob to wrap around a python script that just adds up all the relevant densities generated by PP...

Hey @greschd , thanks for the offer/advice! For now the copying for the first PP after the PW doesn't seem to be a bottleneck and thus copying the files within...

> I don't think anything should really change here. The pseudo_family input should be removed, and hopefully some of the confusion will be cleared up once it is. pseudo_family is...

Ah, I see, thanks for the explanation @sphuber . Indeed I would find it confusing to have both this kinds of modifications in the same function parameter (direct input override...

Is this something we want to add for the 2020 virtual tutorial?