The DFT-D approach relies on tabulated, pre-computed 𝐶 6 parameters which are either constant (DFT-D2), dependent on the chemical environment (DFT-D3) or additionally on the charge of the atom (DFT-D4). The DFT-TS approach computes these 𝐶 6 parameters on-the-fly but requires a Hirshfeld partitioning of the electron density which is based on a promolecular density and thus also requires atom-dependent parameters. In practice, both approaches (DFT-D3 or D4 compared to DFT-TS) deliver very similar chemical insights. The usage of DFT-D3 together with the PBE functional has become the de facto standard in computational material science and thus also in the modelling of AS-ALD if PBC are used.