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Accurate prediction of band gap for new emerging materials is highly desirable for the exploration of potential applications. The band gaps of bulk and monolayer TMDs (MoS2, MoSe2, WS2, and WSe2) are calculated with the recently proposed by us GVJ‐2e method, which is implemented within DFT framework without adjustable parameters and is based on the total energies only. The calculated band gaps are...