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An ab initio calculation for the solid-solid phase transformation, static structural properties, and the lattice dynamics of Si is presented. A density-functional pseudopotential scheme is used with the atomic number as the only input. The detailed properties of the diamond to -tin transition are accurately reproduced. The phonon frequencies and mode-Gr\"uneisen parameters at and X, along with the lattice constant, bulk modulus, and cohesive energy, are calculated and found to be in excellent agreement with experiment.
Yin et al. (Mon,) studied this question.