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8. Downfolding with Wannier functionsΒΆ

  • 8.1. Overview
    • 8.1.1. Prerequisite
  • 8.2. Tutorial
    • 8.2.1. SCF calculation of charge density
    • 8.2.2. (Optional) Band structure
    • 8.2.3. Kohn-Sham orbitals for Wannier
    • 8.2.4. Wannier function, dielectric function, effective interaction
    • 8.2.5. Quantum lattice mode for HPhi/mVMC
  • 8.3. Input parameter for Standard mode
  • 8.4. File format
    • 8.4.1. Geometry
    • 8.4.2. Hopping, Coulomb, exchange integrals
  • 8.5. Contact

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