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We present the results of calculations on bulk transition metals Rh, Pd, andPt using the screened hybrid functional YS-PBE0 [F. Tran and P. Blaha, Phys.Rev. B \textbf{83}, 235118 (2011)]. The results for the equilibrium geometryare compared with those obtained from (semi)local functionals, namely, thelocal density approximation and the generalized gradient approximation PBE ofPerdew \textit{et al}. [J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev.Lett. \textbf{77}, 3865 (1996)]. It is shown that the screened hybridfunctional yields more accurate equilibrium geometry than PBE, but, overall, itis not more accurate than LDA. However, in contradiction with experiment, wefind that the screened hybrid functional favors a ferromagnetic state as theground state for all three transition metals. Therefore, the use of hybridfunctionals for, e.g., the study of catalytically active systems withcorrelated oxides on a metal support is questionable.

Application of screened hybrid functionals to the bulk transition metals Rh, Pd, and Pt