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A new method is presented that allows for efficient evaluation of spin-orbitcoupling (SOC) in density-functional theory calculations. In the so-calledsecond-variational scheme, where Kohn-Sham functions obtained in ascalar-relativistic calculation are employed as a new basis for thespin-orbit-coupled problem, we introduce a rich set of local orbitals asadditional basis functions. Also relativistic local orbitals can be used. Themethod is implemented in the all-electron full-potential code \exciting. Weshow that, for materials with strong SOC effects, this approach can reduce theoverall basis-set size and thus computational costs tremendously.

Accurate and efficient treatment of spin-orbit coupling via second variation employing local orbitals