In Tab. I, we present the convergence success of different SCF strategies for each system within the TMD60 dataset. As said, we start with the SCF strategy A and move to B or C only if necessary. From Tab. I, we can see that for the TMD60 dataset, which includes 60 dimers and 16 atoms, DM21 SCF convergence was successful for 57 systems (45 dimers/14 atoms) using strategy A. B managed to converge 2 additional dimers, while C and direct energy optimization with D did not lead to further convergence. In stark contrast, all 152 species in the W4-11 (main-group atomization energies) dataset converged under Strategy A, likely reflecting the use of main-group atomization energies in DM21's training. At the same time, B3LYP's SCF convergence for TMD species was far easier, with almost all directly converging using A and the remaining five via B. We can also see from Tab. I that species with V and Cr atoms were particularly difficult for SCF convergence, where only the VO dimer and the Cr atom converged. We note that the use of smaller basis set than def2-QZVP, which we use for TMD60, can lead to the convergence of a few additional species (e.g., within Strategy D and the cc-PVDZ basis set, we could also converge the V atom).