2. Tutorial

• 2.1. Introduction
  • 2.1.1. References
• 2.2. Getting started: a simple example with a one-dimensional chain
• 2.3. Second example: Fabry-Perot interferometer
  • 2.3.1. References
• 2.4. Time-dependent potentials and pulses
  • 2.4.1. Time dependent onsite elements
  • 2.4.2. Time dependent coupling elements
  • 2.4.3. Voltage pulses through a lead
• 2.5. Solving one-body problems
  • 2.5.1. Finite systems
    • Defining the Hamiltonian matrix directly
    • Defining the system using Kwant
  • 2.5.2. Infinite systems
    • Defining the system using Kwant
    • Infinite systems with initial scattering states
  • 2.5.3. References
• 2.6. Solving the many-body problem
  • 2.6.1. High-level automatic approach
    • Chemical potential and temperature of the leads
    • Adaptive refinement and error estimate
  • 2.6.2. Low-level manual approach
  • 2.6.3. Summary
• 2.7. Advanced onebody settings
  • 2.7.1. Boundary conditions
  • 2.7.2. Time integration
  • 2.7.3. Time-dependent perturbation
  • 2.7.4. Saving and restarting states
• 2.8. Advanced manybody settings
  • 2.8.1. Lead occupation
    • Chemical potential
    • Temperature
    • Distribution function
    • Energy range
    • Include / exclude bands
    • Include / exclude leads
    • Occupation data format
  • 2.8.2. Numerical integration
    • Quadrature order
    • Interval subdivision
    • Quadrature rule
    • Quadrature error
    • Energy vs. momentum integration
    • Interval data format
    • Tasks data format
    • Time integration
  • 2.8.3. Retrieve one-body states
    • State identifier
    • State information
    • One-body states
    • Evolution time
  • 2.8.4. Miscellaneous
    • Band structure
    • Boundary conditions
    • Initial state
    • Boundstates
• 2.9. Boundary conditions
  • 2.9.1. Basic formalism
  • 2.9.2. A minimal example
    • Automatic boundary conditions
    • Changing default values
  • 2.9.3. How do tkwant boundary conditions work
    • Simple boundary conditions
    • Monomial absorbing boundary conditions
    • General absorbing boundary conditions
  • 2.9.4. Lead reflection analysis
    • Basic analysis
    • Advanced analysis
  • 2.9.5. An advanced example with “nasty modes”
    • Estimate optimal monomial parameters
    • Reflection of the nasty modes
    • Comparison of the reflection from the numerical exact and the monominal approximation
    • Comparison of the lead length for simple or absorbing boundary conditions
  • 2.9.6. References
• 2.10. Parallelization with MPI
  • 2.10.1. Running code in parallel with MPI
  • 2.10.2. Enabling output only from the MPI root rank
  • 2.10.3. MPI communicator
  • 2.10.4. Multi-threading
  • 2.10.5. Examples
    • References
• 2.11. Logging
  • 2.11.1. Handlers
  • 2.11.2. Level
  • 2.11.3. Filters
  • 2.11.4. Example
    • References
• 2.12. More examples
• 2.13. Frequently asked questions