fix(prep): correctly pop pseudo_family from inputs

[LIU-Binbin]

No description provided.

[mbercx]

@ymzhang0 maybe you can review this one, since you worked on the workflow last? :)

@LIU-Binbin I've also given you write privileges on the repo, you simply have to accept the invitation. Then you can also review/merge PRs etc.

[ymzhang0]

Hi Binbin, Marnik,

No problem. I'll review this PR.

I think if we move pseudo_family from w90_bands namespace to the top-level, we should at least provide a default value for it in the protocol. We don't need to do it before because aiida_wannier90_workflow has provided a default pseudo_family. So can you add an item in the current prep.yaml protocol as:

default_inputs:
  clean_workdir: True
  pseudo_family: PseudoDojo/0.5/PBE/SR/standard/upf <- here I use PseudoDojo as the default one. Tell me if you think we should put other pseudo family.
  ...

[LIU-Binbin]

Hi Yiming,
I've added pseudo_family: PseudoDojo/0.5/PBE/SR/standard/upf to the prep.yaml file.