The AIMD-based scheme does not give access to the individual vibrational modes, but only the total spectrum. Different methods were proposed to dissect the MD-based spectra into individual contributions, ranging from Voronoi integration techniques 82 to subsystem DFT-based embedding, spatial decomposition methods to extracting effective normal modes from the vibrational density of states. The most common approach is decomposition via ML-WFs, which, from the practitioner's perspective, is straightforward to apply without requiring any modifications to the electronic-structure code. In the case of, e.g., molecular liquids, MLWFs can be easily assigned to the individual molecules. Such an assignment is less obvious for materials. However, COF frameworks are composed of "molecular units" which can be considered as separate fragments even though they are connected with covalent bonds.