Figure 6: Localization properties of water conduction and valence band edges.
From: The refractive index and electronic gap of water and ice increase with increasing pressure
The inverse participation ratios (IPR) of the valence band maximum (VBM, circles) and conduction band minimum (CBM, squares) of (a,b) water and (c,d) ice VIII as a function of pressure. Results of panels b and d were obtained with the hybrid functional PBE0, while those of panels a and c with the semi-local functional PBE. The error bars show the s.d. values of the IPRs of water. Lines are drawn to guide the eyes only.
