Data of Consequences of overtones in Raman spectra for assigning nickel anode surface structures as NiO2 during alkaline electrolysis

Dataset for Consequences of Overtones in Raman Spectra for Assigning Nickel Anode Surface Structures as NiO2 during Alkaline Electrolysis Contents: Calcluated spectra: Position and activities of calculated Raman modes. DOS: Vasp xml required for DOS and bandgap. Figure1–Figure6: Raw data for plots included in the manuscript and corresponding Jupyter notebooks to evaluate the data. FigureSI: Raw data for Plots included in the Supplementary Information VASP: OUTCAR, POSCAR and CONTCAR of all calculations. Find more information about this folder in the included README.md.