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Motivated by the disagreement between recent diffusion Monte Carlocalculations and experiments on the phase transition pressure between theambient and beta-Sn phases of silicon, we present a study of the HCP to BCCphase transition in beryllium. This lighter element provides an oppor- tunityfor directly testing many of the approximations required for calculations onsilicon and may suggest a path towards increasing the practical accuracy ofdiffusion Monte Carlo calculations of solids in general. We demonstrate thatthe single largest approximation in these calculations is the pseudopotentialapproximation. After removing this we find excellent agreement with experimentfor the ambient HCP phase and results similar to careful calculations usingdensity functional theory for the phase transition pressure.

Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium