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Different basis set sizes - PowerPoint PPT Presentation

Javier Junquera

Exercises on basis set generation Convergence of the basis set with size. Javier Junquera. Most important reference followed in this lecture. Bulk Si, a semiconductor that crystallizes in the diamond structure. As starting point, we assume the theoretical lattice constant of bulk Si .

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Different basis set sizes - PowerPoint PPT Presentation

Javier Junquera