Basics to run BoltzTraP2¶
Once intalled, one can try
btp2 -h for available command line options. This fork of BoltzTraP2 is mostly focused at the constant doping case, try
btp2 dope -h for more details.
For the kinetic calculations, all the commands follow those from BoltzTraP2. For more details, check out the [BoltzTraP2 tutorial](https://gitlab.com/sousaw/BoltzTraP2/-/wikis/tutorial).
Example by Jupyter Notebook¶
Jupyter Notebook (previously IPython Notebook) files are used for interactive computing in many fields and contain a complete record of the user’s sessions and include code, narrative text, equations, and rich output.
The advantage to use Jupyter Notebook is that it makes very easy for a reseracher lacking of experience software installation. For example, it takes quite significant time to figure this or that kind installation problem, even for the installation of the upstream package of this work, BoltzTraP2, in cmake and g++ settings
We have prepared an extensive jupyter notebook script which can be downloaded by
1. clicking the link BoltzTrap2Y.ipynb followed by click the
icon in the right hand side of the web page. By default, a file named like
BoltzTrap2Y.ipynb will be saved in your
Downloands folder in the case of Windows computer. After that, go back to this page and run the codes using the free google notebook server by
clicking the link jupyter notebook google followed by uploading the downloaded code through clicking
file->uploadin the jupyter notebook google page.
last, you can do one-click to run the code by clicking
Runtime->Run allin the jupyter notebook google page