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L.L. Rusevich, E. A. Kotomin, G. Zvejnieks, and A. I. Popov, Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies, Low Temp. Phys. 46, (2020) [Fiz. Nizk. Temp. 46, 1394-1406, (2020)] DOI: https://doi.org/10.1063/10.0002472.