Coupling with the AMOEBA polarization model In this paragraph, we discuss the necessary adaptations of a QM/AMOEBA model for PW basis sets, where we also present the modified interaction tensor that plays a pivotal role in the PW-adapted model. We note that the KS-DFT/AMOEBA model has been developed for and applied for localized GTO basis sets by. Thus, we adapt the QM/AMOEBA model to be compatible with the delocalized PW basis set in combination with real-space density grids.