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The current calculations have been carried out by the method of projector augmented-wave pseudopotentials with density purposeful concept coded while in the Vienna ab inito simulation package31, 32. For the electrons’ exchange correlation Electrical power, the Perdew–Burke–Ernzerhof purpose was used33. The kinetic energy cutoff is picked as 5
Warning: These outcomes are intended to be semi-quantitative in that corrections, which include edge shifts and Debye-Waller damping, haven't been included. Substrates Reference for minimal coincident interface space (MCIA) and elastic Strength: substrate orientation: anyBrian Clegg With all the story of germanium, which was named once the country