I created a PP group using the following command using the correlation consistent PP in https://pseudopotentiallibrary.org. This is not one of the default libraries in aiida-pseudo.
aiida-pseudo install family opt_upf -P pseudo.upf
However, I would need to modify the PP library from time to time, and I would like to swap PP files for specific elements or add new elements after setting up the group as above. What is the best way to proceed? Should I delete the group and rerun the command as above? I have not yet found an example where deleting PP group is shown. My only working solution now is to delete the aiida profile, but I think that is not the ideal solution.
Hi Kayahan, the most important thing to remember is that a pseudopotential family created with aiida-pseudo is just a Group as it is in aiida-core, i.e., it is just a collection of nodes. You can add and remove nodes (UpfData nodes that represent the pseudos in your case) from a group as often as you want. Have a look at the documentation for groups for lots of examples.
If you are just adding new elements to a family, I would simply add them to the pseudo family group you already have. If you need to change the pseudo for an element, you have two options: replace the existing pseudo, or create a new pseudo family with the new pseudo. If you still want to use the old family, I would recommend simply creating a new family and replacing the pseudo for the target element. Otherwise, you can simply keep the current family and replace the pseudo.