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Using the total-energy general-potential linearized-augmented-plane-wave method, we have tested the adequacy of the local-spin-density approximation for describing the magnetic and structural properties of iron. We find that there are fundamental deficiencies in the local-spin-density approximation, both quantitative and qualitative, in that there are substantial errors in the calculated ground-state volumes and magnetic moments, as well as a prediction of the wrong ground-state crystal structure.
Wang et al. (Mon,) studied this question.
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