Figure 2: Electronic gaps.
From: The refractive index and electronic gap of water and ice increase with increasing pressure
Computed electronic gap of water and ice VIII as a function of pressure at 0, 1,000 and 2,000 K. The calculations were performed using the semilocal density functional, PBE, and in the inset, the hybrid functional PBE0. The error bars show the s.d. values of the band gaps of water. Lines are drawn to guide the eyes only.
