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About Examples-dir

Info

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

KITE Scripts

This folder contains various scripts with examples showing the functionalities of the KITE library. To execute a script, run

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

Several examples are given, including

A simple DOS calculation of various systems, such as

  • Checkerboard lattice
  • Graphene
  • Cubic lattice

Two types of disorder:

  • On-site (uncorrelated) disorder
  • Vacancies

More advanced examples covering:

  • Optical conductivity
  • XX/YY conductivity
  • Weyl semi-metal calculations
  • Fu-Kane-Mele model calculations

These python scripts return a HDF5-file. These files can then be passed to the KITEx-executable to do the core calculation. Finally, the raw output data 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.

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 output files, 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()