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Warning: These final results are intended to be semi-quantitative in that corrections, such as edge shifts and Debye-Waller damping, have not been provided. Substrates Reference for minimum coincident interface location (MCIA) and elastic energy: substrate orientation: anyThis has not occurred for the reason that there remain apps in which germaniu
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The current calculations ended up done by the strategy of projector augmented-wave pseudopotentials with density purposeful idea coded inside the Vienna ab inito simulation package31, 32. For the electrons’ exchange correlation Vitality, the Perdew–Burke–Ernzerhof operate was used33. The kinetic Vitality cutoff is picked as 550?eV to the plan
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