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The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.
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Bacalis et al. (1985) studied this question.
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