Modified Monkhorst-Pack (MMP) special points meshes for Brillouin zone integration are proposed for cubic crystals. The MMP meshes suggested ensure the higher precision of k-points summation and faster and regular convergence of the results of the self-consistent calculations of the electronic structure of crystals. The efficiency of MMP meshes is demonstrated by DFT-GGA (density functional theory - generalized gradient corrections) calculations of SiC crystal.

Original languageEnglish
Article number233101
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Issue number23
DOIs
StatePublished - Dec 2004

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

ID: 84354597