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Lattice vibrations
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Computer simulation
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Free energy
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Molecular dynamics
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article
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dynamics
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energy
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entropy
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temperature
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vibration
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Anisotropy
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C. Ab initio calculations
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Computational methods
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Crystalline materials
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Elasticity
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Electronic structure
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Hartree-Fock theory
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High pressure effects
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Ionic crystals
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Ionic relaxation
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1por Allan, N.L., Barrera, G.D., Fracchia, R.M., Lavrentiev, M.Yu., Taylor, M.B., Todorov, I.T., Purton, J.A.Materias: “...vibration...”
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2Materias: “...vibration...”
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3Materias: “...Lattice vibrations...”
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4Materias: “...Lattice vibrations...”
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5Materias: “...Lattice vibrations...”
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6Materias: “...Lattice vibrations...”
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