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DFT study of Lithium

We perform a simple study of metallic Lithium via DFT calculations using a plane
wave basis set. The equilibrium lattice constant, Density of States and band structure
are calculated. Additionally, an AE isolated atom simulation is performed in order to
compute the photoemission energy of a 1s electron.


Note: PDOS of states p,d is wrong, likely due to an error in the pseudopotential file.

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Basic DFT study of metallic Lithium

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