KITE has three different layers:
The tight-binding (TB) model is first defined with the user interface. KITE's user interface is based on Pybinding. However, it has additional features that modify the model such as complex disorder and fields modifications. It also features the definition of target functions e.g., DOS, conductivity, ... The model is exported to a HDF5-file, together with the settings for the calculation. This file is then given as an input to the main program (KITEx). The input and output for the main program are written to the same HDF5 file.
The workflow is as follows:
- Build a
pb.Latticethat describes a tight-binding model (using Pybinding)
- Specify any adaptation (such as disorder of magnetic field) to this
pb.Lattice(using KITE's python interface)
- Specify the settings (using KITE's python interface)
- Specify the quantities to be calculated (using KITE's python interface)
- Export the HDF5 file (using KITE's python interface)
- Perform the calculations with the HDF5 file (using KITEx)
- Run the post-processing tools (using KITE-tools)
- Visualise the data
It is possible to use a simple python script for the whole workflow.