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A preliminary non-self-consistent band calculation on V 3 Ga using the LMTO method is reported. The concept of canonical bands and density-of-states has been studied with respect to their usefulness in describing the gross features of the band structure and to perform self-consistent calculations. The method is found to be very convenient in studies of compounds, and it is conjectured that the accuracy of the eigenvalues are 0.01 Ryd. The author focuses on the properties of the LMTO method applied to compounds rather than on comparison with experimental data. Since no attempt has been made to find an 'optimized' non-self-consistent potential, the results should not be trusted too far in comparisons with experiments.
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Jarlborg et al. (1976) studied this question.
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