Fermi energy determination for advanced smearing techniques
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DOI: 10.1103/physrevb.107.195122
Abstract: Smearing techniques are widely used in first-principles calculations of metallic and magnetic materials, where they improve the accuracy of Brillouin zone sampling and lessen the impact of level-crossing instabilities. Smearing introduces a fictitious electronic temperature… read more here.
Keywords: fermi energy; smearing techniques; energy; advanced smearing ... See more keywords