The tutorial will teach how to numericaly evaluate magnetotransport (within semiclassical formalism) and optical properties. Or any other quantity which can be expressed as a Brillouin zonde integral. We will use the code WannierBerri. This code was primarily developed for ab-initio calculations of Berry curvatures and similar quantities (see paper ) but now it can be equally used for k.p or tight-binding models. We will stick to the models in the tutorial.
The tutorials will be provided as Jupyter notebooks and will de uploaded to this repository shortly before the session. So far the students are asked only to prepare their computers
Please install Jupyter Notebook, WanierBerri and also pythtb
pip install pythtb notebook matplotlib "wannierberri>=0.14.0"
This will also install all dependencies
First, tutrial is using python3 language. Therefore, please install it on your computer (if not installed yet)
You may consider the Anaconda distribution, but the python which comes with your OS (at least Mac/Linux) whouls be fine.
We regularly test WannierBerri with pytho versions 3.8, 3.9 and 3.10.
There may be issues of some package dependencies with python 3.11 on some systems (e.g. see here ). If you have python3.11 and experience such issues, try to create a virtual environment with an older version of python, following instructions
conda create -n python39 python=3.9
conda activate python39
pythtb is a package that we will use to construct tight-binding models.
Make sure you have the fresh version of wannierberri
Open the tutorial tutorials/tutorial_test.ipynb with Jupyter Notebook. Try to run all the cells in it
If you run all the cells without errors, you are good to go even if you do not understand what is going on.
- open an Issue in this repository (you need to login to GitHub for that)
- look through issues in main repository
- try to find me at the school (I will be around) or some of the following people:
Looking forward to seeing you at the tutorial!
Stepan Tsirkin