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Abstract Starting with the Dirac equation the relativistic version of the linear muffin‐tin orbital method (RLMTO) is developed. It is considerably faster than the non‐linear RAPW method. Application to the band structure of Au shows, that the results (valence band energies) of both methods deviate in the average by only 0.004 Ryd from each other.
Nemoshkalenko et al. (Tue,) studied this question.