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  1. Article

    Open Access

    Towards fully automated GW band structure calculations: What we can learn from 60.000 self-energy evaluations

    We analyze a data set comprising 370 GW band structures of two-dimensional (2D) materials covering 14 different crystal structures and 52 chemical elements. The band structures contain a total of 61716 quasipa...

    Asbjørn Rasmussen, Thorsten Deilmann, Kristian S. Thygesen in npj Computational Materials (2021)

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