Meta-gga scan functional in the prediction of ground state properties of magnetic materials: review of the current state

HIGHLIGHTS

  • who: Vladimir Sokolovskiy and collaborators from the Department of Condensed Matter Physics, Chelyabinsk State University, Chelyabinsk, Russia have published the article: Meta-GGA SCAN Functional in the Prediction of Ground State Properties of Magnetic Materials: Review of the Current State, in the Journal: Metals 2023, 13, 728. of /2023/
  • what: According to the research presented, the most significant difference between the LSDA, GGA, and SCAN functionals was observed for the band structure of austenite with a spin-down projection along the L - U - W and L - K - X paths.
  • how: One can take . . .

     

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