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A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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Generalized Gradient Approximation Made Simple
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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