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About Examples-dir

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This file describes the contents of the kite/examples-folder.

KITE Examples

This folder contains various examples showing the functionalities of the KITE library. To execute an example, run

python3 example.py
../build/KITEx example-output.h5
../tools/build/KITE-tools example-output.h5

The following examples are given:

  • A simple DOS calculation of various systems, like
    • Checkerboard lattice
    • Mixed disordered lattice
    • On-site disorder
    • Simple square lattice
    • Vacancies
    • Cubic lattice
  • Optical conductivity
  • XX/YY conductivity
  • Weyl semi-metal calculations
  • Fu-Kane-Mele model calculations

The examples start with the initialization of the Pybinding Lattice in the Python-script. The type of calculation is then described in the main()-part, with some default parameters associate with this calculation. The python-script returns a HDF5-file. This file can then be passed to the KITEx-executable to do the core calculation. Finally, the raw calculations are analyzed using the KITE-tools-executable. Depending on the type of calculation, various output files will be created in the folder where the code was executed from.

If the system is installed in the right folder as mentioned in the tutorial, all the results can be generated automatically by running

python3 run_all_examples.py

After running this command, all the examples will be executed. This can take several minutes. Besides the outputfiles, like name-dos.dat, plots will be given for the DOS, optical conductivity and DC conductivity.

To clean up the folder after running all the examples, execute the following commands

python3
>>> import run_all_examples
>>> run_all_examples.clean()
>>> exit()