We test the SCAN functional for magnetic transition metals including Fe, Co and Ni and the near magnetic elements, V and Pd. We find that while SCAN modestly enhances magnetic moments it very strongly enhances magnetic energies leading to qualitatively incorrect predictions for technologically important systems including steel. The origin of these large errors is discussed.The work was supported by Grant DE-SC0019114, funded by the U.S. Department of Energy, Office of Science.
APS March Meeting Abstracts
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