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• 15:22, 25 February 2025 Wolloch talk contribs created page Construction:Setting up a DFT calculation (Created page with "Setting up an electronic minimization calculation using density-functional theory requires a few steps. The input files must be created or copied into the execution folder. This includes making a few choices for the '''k''' point sampling and electronic smearing, minimization algorithm, and [[:Category:Exchange-correlation functionals|exchange-correlation functionals]...")