Electronic Analysis (Fermi)

The Electronic Analysis (Fermi) module enables the calculation of the Fermi surface and its 3D rendering as well as properties related to the electronic structure of a solid.

Properties from Fermi module

  • Three-dimensional rendering of the Fermi surface
  • Effective masses and electron velocities (each band, high-symmetry points)
  • Interactive analysis of effective masses and electron velocities ( each band, any point)
  • Change of the above properties upon shift of Fermi level: doping

Computational characteristics

  • Uses eigenvalues computed with VASP 4.6 or 5.2 with all available functionals (including GGA+U, hybrid functionals, fully relativistic Hamiltonians)
  • Fully automated setup, execution, and processing of VASP jobs

Required MedeA modules

  • Core MedeA environment MedeA
  • VASP 4.6 or 5.2
  • Job Server and Task Servers

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