Downfolding with Wannier functionsΒΆ

  • Overview
    • Prerequisite
  • Tutorial
    • SCF calculation of charge density
    • (Optional) Band structure
    • Kohn-Sham orbitals for Wannier
    • Wannier function, dielectric function, effective interaction
    • Quantum lattice mode for HPhi/mVMC
  • Input parameter for Standard mode
  • File format
    • Geometry
    • Hopping, Coulomb, exchange integrals
  • Contact

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  • Tutorial
  • Input files for Standard mode
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  • Algorithm
  • Program for the unrestricted Hartree-Fock approximation
  • HPhi/mVMC Fourier-Transformation utility
  • Downfolding with Wannier functions
    • Overview
    • Tutorial
    • Input parameter for Standard mode
    • File format
    • Contact
  • Acknowledgement

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