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Large unit cells - PowerPoint PPT Presentation

From APW to LAPW to (L)APW+lo

From APW to LAPW to (L)APW+lo. Karlheinz Schwarz Institute for Material Chemistry TU Wien Vienna University of Technology. Atomic scale and quantum mechanics. An understanding of the electronic structure requires quantum mechanical treatment of the electrons in the presence of nuclei

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Large unit cells - PowerPoint PPT Presentation

From APW to LAPW to (L)APW+lo