Fig. 2
From: High-throughput computation and evaluation of raman spectra
Plot of wavenumber deviations Δv of computed modes versus their wavenumbers. Each data point belongs to a matched pair of calculated phonon mode and experimental peak. The x axis shows the wavenumbers of phonon modes, v = vmode, while the y axis shows how much these wavenumbers of phonon modes differ from those of their matched experimental peaks, namely Δv = vmode − vpeak. The Gaussian kernel density estimates of v and the normal distribution of Δv are shown respectively on the x and y axis.
