pyqcm : documentation (v2.3.0)

Contents:

• Introduction
  • What is pyqcm?
  • Installation
    • Dependencies
    • Minimal installation
    • Advanced installation
• Models and clusters
  • Lattices and superlattices
  • Lattice models
    • One-body operators
    • Anomalous operators
    • Density waves
    • On-site interaction terms
    • Extended interaction terms
    • Hund’s coupling terms
    • Heisenberg coupling terms
  • Clusters
  • Multiband models
  • Bath sites
  • Site and orbital labels
  • Green function indices and mixing states
• Defining cluster models
  • Defining operators on the cluster
  • Class for defining cluster models
    • cluster_model
  • Class for defining clusters
    • cluster
• Defining lattice models
  • A simple example
  • A more complex example
  • Other examples
  • Class lattice_model
    • lattice_model
• Parameter sets, Hilbert space sectors and model instances
  • Parameter sets
  • Hilbert space sectors
  • Model instances
    • model_instance
• Cluster Dynamical Mean Field Theory
  • CDMFT
    • diff_matrix()
    • diff_sigma()
    • plot_iterations()
    • set_Hyb()
    • set_sigma()
  • convergence_manager
    • print()
    • test()
  • frequency_grid
  • hybridization
    • distance()
    • optimize_bath()
  • general_bath
    • starting_values()
    • starting_values_PH()
    • varia()
    • varia_E()
    • varia_H()
• The Variational Cluster Approximation
  • VCA
  • Other VCA-related functions
    • plot_GS_energy()
    • plot_sef()
    • transition_line()
• The Hartree approximation
  • hartree
    • converged()
    • omega()
    • omega_var()
    • update()
• Other functions
  • List of other functions in pyqcm
    • MinimizationError
    • MissingArgError
    • OutOfBoundsError
    • ParseError
    • SolverError
    • TooManyIterationsError
    • VarParamMismatchError
    • WrongArgumentError
    • banner()
    • double_counting
    • epsilon()
    • general_interaction_matrix_elements()
    • get_global_parameter()
    • is_sequence()
    • orbital_manager()
    • orbital_pair_manager()
    • print_options()
    • print_statistics()
    • reset_model()
    • set_global_parameter()
    • switch_cluster_model()
    • varia_table()
    • wavevector_grid()
    • wavevector_path()
• Summary of options
  • Boolean options
  • Integer-valued options
  • Real-valued options
  • Char-valued options
• Parallel processing
  • Generality
    • OpenMP parallelization
    • CUBA parallelization
    • BLAS parallelization
  • Performance
    • Exact Diagonalisation
    • Numerical integration
    • Concurrent use of ressources
  • Conclusion

Indices and tables

• Index

• Module Index

• Search Page