Reproducibility in density functional theory calculations of solids Reproducibility in density functional theory calculations of solids
Paper summary This paper focuses on density functional theory (DFT), a particularly popular quantum method for both academic and industrial applications. They devised a procedure to assess the precision of DFT methods. They report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals.

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