Hi I was wondering if Avogadro 1.2.0 has the functionality of viewing g-orbitals in the molecular orbital surface tab? I would like to see some visuals for those orbitals, though it seems like just the rest of them work, but g-orbitals don’t. Will that functionality be put in to newer versions?
At the moment, there isn’t support for anything beyond f-orbitals in 1.2 and we won’t be able to add that.
We have an open ticket for ‘g’ and higher momentum orbitals:
The main hold-up is knowing a bit more about what people need (e.g., what programs / basis sets are you using) and having some examples … since the orderings and normalizations vary by program.