Hands-on session. Computing structural and electronic properties of materials

Updated May 2016

1. Lattice constant, bulk modulus, and equilibrium energy of solids: bulk Si
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2. Analysis of the charge density in real space of a solid: bulk Si
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3. Band structure of an ionic solid: the case of MgO
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4. Density of States and Projected Density of States: the case of SrTiO₃
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5. Fat bands: the case of SrTiO₃
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6. Plot the Fermi surface for electron and hole-doped SrTiO₃
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7. How to compute the Born effective charges
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