Thermodynamic stability of Mg-based ternary long-period stacking ordered structures

Generalized Gradient Approximation Made Simple

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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

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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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Crystal structure prediction using <i>ab initio</i> evolutionary techniques: Principles and applications

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