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We develop a numerical Brillouin-zone integration scheme for real-timepropagation of electronic systems with time-dependent density functionaltheory. This scheme is based on the decomposition of a large simulation into aset of small independent simulations. The performance of the decompositionscheme is examined in both linear and nonlinear regimes by computing the linearoptical properties of bulk silicon and high-order harmonic generation. Thedecomposition of a large simulation into a set of independent simulations canimprove the efficiency of parallel computation by reducing communication andsynchronization overhead and enhancing the portability of simulations across arelatively small cluster machine.

Two-step Brillouin zone sampling for efficient computation of electron dynamics in solids