In the MO approach typically used for ab initio computations, a set of occupied and (typically) delocalized orbitals resultsthe canonical orbitals. In KS-DFT, these are the KS orbitals which can be interpreted in a similar manner. Visualizing these orbitals can help to understand the electronic distribution in a chemical system and show bonding and antibonding interactions. However, these analyses are often infeasible for AS-ALD once the substrate is considered. For computations with PBC, mostly plane wave basis sets are used which do not allow such an analysis in a straightforward way. One way to derive a similar picture is using the partial density of states (pDOS) approach. Here, the contribution of certain atoms in a system to the periodic equivalent of an orbital (the band) are analyzed, which has been used in AS-ALD a few times. This analysis can give an idea about bonding interactions in a qualitative manner. The localization of orbitals can also be used to provide such a qualitative view on bonding interactions. Orbital analysis can be used to better understand precursors themselves or the chemical interactions of a precursor with a substrate. However, other approaches are better suited in many cases.