Bar Plot from Scientific Research
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Ionic charges of Ni (blue) and O (red) in NiO, LiNiO2, and NiO2 determined with PBE +U(Ueff= 6 eV) and a Bader analysis (left bar in each set), Wannier occupancies based on PBE Bloch states (middle bar), and full charge self-consistent DFT + DMFT based on Wannierization (right bar).
#Bar Plot#Ionic Charges#Ni#O#NiO#LiNiO2#NiO2#PBE+U#Bader Analysis#Wannier Occupancies#Bloch States#DFT+DMFT#Wannierization
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