triqs_modest
  • About ModEST
    • What ModEST is
    • What ModEST does
  • Install modest
    • Compiling modest from source
      • Prerequisites
      • Installation steps
      • Version compatibility
      • Custom CMake options
      • Git LFS Tests (Optional)
  • User guide
    • Realistic DMFT and electronic structure
      • From DFT to a correlated low-energy problem
      • The lattice Hamiltonian + self-energy problem
      • The DMFT self-consistency cycle
      • Charge self-consistency
      • How ModEST organizes the calculation
    • Theory and notation
      • Notation and basic equations
        • Bloch, Wannier and correlated spaces
        • The σ index
        • Projectors
        • DMFT equations
          • Projected equations in the correlated space
        • Number of electrons
          • Block structure of the correlated space
        • Definitions
        • Basis preparation
          • Embedding
      • Appendices
        • Derivation of the local Green’s function
        • Derivation of the projected density
          • Integration in the irreducible Brillouin zone wedge
          • Derivation of the fused projector
  • Tutorials
    • Charge self-consistent DFT+DMFT with VASP
      • Charge self-consistent DFT+DMFT with VASP: SrVO3
        • Step 1 — converge the DFT charge density
        • Step 2 — the projector definition
        • Step 3 — switch the INCAR to charge self-consistency
        • Step 4 — the DMFT driver script
        • Step 5 — run it
        • Step 6 — track the impurity self-energy
    • More tutorials
  • API Reference
    • Python API
      • One-body elements
        • Factories
        • Containers
        • Supporting types
      • Embedding
        • Mapping from impurities to \(\mathcal{C}\)
      • Interaction Hamiltonians
      • DMFT loop
        • Local Green’s function
        • Chemical-potential search
        • Impurity levels and hybridization function
      • Double counting
        • Embedded self-energy
        • Where does the double-counting term appear in the DMFT loop
      • Charge self-consistency
        • Generic DFT driver framework
        • Charge-density correction
      • Post-processing
        • Spectral functions
        • Container types
      • Green’s function utilities
        • Analyzing degenerate blocks
        • Symmetrizing a block Green’s function
      • OBE utilities
      • Checkpointing
    • C++ API
  • Changelog
  • Reporting issues
triqs_modest
  • Overview: module code

All modules for which code is available

  • triqs_modest.atomic_levels_and_delta
  • triqs_modest.dft_driver.driver
  • triqs_modest.embedding
  • triqs_modest.hamiltonians
  • triqs_modest.local_gf
  • triqs_modest.obe
  • triqs_modest.obe_tb
  • triqs_modest.post_processing
  • triqs_modest.rho_and_mu
  • triqs_modest.utils.analyze_gfs
  • triqs_modest.utils.checkpoint
  • triqs_modest.utils.dc
  • triqs_modest.utils.file_io
  • triqs_modest.version

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