Graphanol is expected to have no instabilities in the form of soft modes based on the DFT phonon dispersion spectrum studies of Bagusetty et al. We computed the phonon density of states (PDOS) of graphanol with our DP for the primitive cell and compared it with the corresponding DFT results in Figure . The phonon calculations were carried out within the quasi-harmonic approximation at 0 K. The agreement between PDOS predicted by our DP compared with DFT calculations over all frequency modes is excellent. DP is seen to slightly overestimate the densities at higher frequencies (around 90 THz). The partial DOS plots (Figure ) indicate that these modes correspond to the H atoms that are part of the hydroxyl group. We believe that this inaccuracy should not influence our ability to estimate accurate proton diffusion characteristics.