Previously, it has been reported that DFT+U calculations as implemented in the GPAW code, are able to describe the stabilization of hole polarons in Li 2 O 2 for physically relevant values of the Hubbard U parameter. However, as mentioned later in Ref. 34, care should be taken when applying DFT+U techniques to extended orbitals as the p states. For instance, in the VASP code, the implemented DFT+U formalism is sensitive to the PAW augmentation radius that it might be smaller than the spatial extension of the orbital that one intends to correct. On the other hand, the GPAW implementation of the DFT+U reduces the effect of the augmentation radius dependence by normalizing the integral of the projected atomic orbitals within the augmentation sphere, scaling the corresponding overlaps accordingly.