This page shows the tutorials for demonstration purposes. To run the tutorials yourself, please download them from GitHub

Note that the tutroials were tested with version 1.3.0 later versions may have changes that are not compatible with the tutorials, please report any issues you may encounter, we do our best to keep the tutorials up to date with the latest version of WannierBerri.

• Basic tutorial: Interpolating bands, Berry curvatures, and integrating them
  • Preparation of a calculation:
  • Reading the system
  • Interpolation on a path
  • Running a calculation: calculators and results
  • Tabulating Berry curvature and spin
    • Running a calculation
    • Alternative shortcut:
    • Plotting the results
    • Problem 1:
    • Get the data and do whatever you want
  • Calaculation on a 3D grid
    • We can use the same tabulators, but now we pack them into TabulatorAll in “grid” mode
    • And we run the calculation in the same way
    • Writing the FermiSurfer files
    • Analyze the tabulated data
    • Problem 2 :
    • fill the missing parts and evaluate the Berry curvature summed over all states below EF = 12.6 eV. Plot in on a plane k3=const (in reduced coordinates)
  • Integration on a grid: anomalous Hall conductivity
    • Problem 3 :
  • Tetrahedron method
  • Optical conductivity
  • All in one
• WannierBerri advanced tutorial - Fermi surface and Fermi sea calculation of the Berry curvature dipole
  • Model 1: Chiral tight-binding model
    • Model, band structure
    • Berry curvature dipole
  • Model 2: Ferroelectric germanium telluride (α-GeTe)
  • Further questions
• Spin Hall conductivity
  • Model, band structure
  • Static spin Hall conductivity
  • Dynamic spin Hall conductivity
  • Spin Berry curvature
  • Generating .sHu and .sIu from .mmn and .spn: mmn2uHu
  • Further questions
• DIY tutorial
  • anomalous Hall conductivity
  • Look into documentation
    • Evaluate ANE using the new calculator and plot the result
  • Questions:
  • FormulaProduct
  • Problem :
• Symmetrization of Wannier Hamiltonian and matrices
  • Nonmagnetic system (trigonal Te)
  • Magnetic system with SOC (bcc Fe)
• Wannierisation (including SAWF)
  • 0. Compute QuantumEspresso files
  • 1. Setup
  • 2. Read the bandstructure from Quantum ESPRESSO
  • 3 Choose projections
  • 4 create the SymmetrizerSAWF object
  • 5. Create the amn file
  • 6. Read and set w90 files
  • 7. Wannierise
  • 9. Create System_w90 object
  • 8. Bands along path
    • 8.1 calculate bands
    • 8.2 plot bands
  • 9. AHC and Ohmic conductivity
    • 9.1 calculate
    • 5.2 Plot
• Finding initial projections based on symmetry indicators
  • Theory and background
  • Import some modules and classes
  • generate the symmetrizer
  • Define the trial projections
  • Create the EBRsearcher object
  • Find combinations of EBRs