J. George
J. George
> I don't know why you posted this [#306 (comment)](https://github.com/JaGeo/LobsterPy/issues/306#issuecomment-2191614799) twice. By accident
> > I am uploading the scripts that I used at the time to get the information for 1. > > [Script_to_get_available_basis_functions.zip](https://github.com/user-attachments/files/15988906/Script_to_get_available_basis_functions.zip) > > There is a list of all...
I think it is uploaded here. It's just a text file including all available basis functions.
In my opinion: this was anwered
@naik-aakash some version conflicts (flake8).
I would like to add that the inheritance we are currently using as part of the ASEMaker is quite complex. I even have trouble now quickly finding where to implement...
I think it would be important that one quickly finds: - where to add a new ml model - where data is processed from ase to the document model and...
The min file does not have them, the max file does. Thus, these orbitals are tested as a part of thr basis. I think we had an updated version of...
Ah, one more thing: there is an issue for Ba. You might want to check out our database paper. We explain it there. An orbital that is needed is not...
> > The min file does not have them, the max file does. > > However, the form of fractional occupancies used on the VASP wiki does not appear in...