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Siesta srtio 3 - PowerPoint PPT Presentation

Computing lattice constant, bulk modulus and equilibrium energies of bulk cubic SrTiO 3

Computing lattice constant, bulk modulus and equilibrium energies of bulk cubic SrTiO 3. Bulk SrTiO 3 Cubic structure. Information required to run a first-principles simulation. Number and species of the atoms in the unit cell,. Lattice vectors and lattice constants.

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Siesta srtio 3 - PowerPoint PPT Presentation

Computing lattice constant, bulk modulus and equilibrium energies of bulk cubic SrTiO 3