Setting a different PAW dataset (ASE/GPAW)


In Vanadium — GPAW we have two possibilities, vanadium with 5 valence electrons and vanadium with 13 valence electrons.

What flag sets this in a typical GPAW calculation? I.e. how do I overwrite the default behavior?


So I guess the answer to this is

calc = GPAW(…,
setups={‘V’: ‘5’},