We used density functional theory (DFT) plus DMFT (46), as implemented in the full-potential linearized augmented plane-wave method (47, 48), to describe the correlation effect on 5f electrons. The correlated U 5f electrons were treated dynamically by the DMFT local self-energy, while all other delocalized spd electrons were treated on the DFT level. The vertex-corrected one-crossing approximation (46) was adopted as the impurity solver, in which full atomic interaction matrix was taken into account. The Coulomb’s interaction U = 4.0 eV and the Hund’s coupling J = 0.57 eV were used for the DFT + DMFT calculations.

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