The interaction between the layers in materials like COF-1 is dominated by long-range London dispersion interactions. It is well known that generalized gradient approximation (GGA) functionals like PBE cannot describe longrange electron correlation. Empirical dispersion corrections are typically added after the electronic-structure optimization to account for dispersion interactions. We tested five different dispersion models, namely, TS and many-body dispersion (MBD) models 104 as well as Grimme's D2 105 and D3 106 corrections. We investigated also the latter in combination with Becke-Johnson (BJ) damping, denoted as D3(BJ). The dispersion models describe the dispersion at different levels of sophistication. D2 and D3 in-troduce terms which solely depend on the nuclear coordinates, while TS and MBD also incorporate terms dependent on the electronic density. In addition to these, we also tested the "strongly constrained and appropriately normed" (SCAN) meta-GGA functional 108 combined with the revised Vydrov-van Voorhis (rVV10) non-local correlation functional 109 , denoted as SCAN+rVV10 and previously promoted as versatile van der Waals (vdW) functional. Figure reports the total PES along the zigzag vertices of the hexagonal pores, including electronic contributions at the PBE level and contributions from the dispersion correction, together with the SCAN+rVV10 results. Our starting structure is the density-functional tight binding (DFTB)optimized AA stacked COF-1 provided by Lukose et al. Figure displays the change in the total energy when shifting every second layer with respect to the AA structure as shown in Figure . A shift of 1.6 Å and 8.6 Å corresponds to the AA' and AB stacking, respectively. All models predict that the AA' structure is energetically the most stable one. This aligns with previous DFTB calculations, albeit the DFTB-predicted AA' shift is slightly smaller (1.4 -1.5 Å).