Getting started *************** .. container:: abstract In the following we will use DFT (Density Functional Theory) implemented in CP2K to calculate the energy and forces between argon atoms. Setting up our work environment ================================ .. container:: justify First, we will setup our working environment in VSCode. Note that the following tutorials can also be done with another editor of your choice. Open VSCode and select ``File->Open Folder``. Create a new folder for your project and open it. Then create the following folder structure .. code-block:: :dedent: 0 | your-project | |---dft | | |---2_body_potential | | |---liquid_argon_85K .. container:: justify In the following we will work with a Jupyter notebook. Todo so, go to the next page :ref:`2_body_potential` and download the ipynb notebook from the end of the page. Place the notebook into your folder ``dft/2_body_potential``, then continue with doing the tutorial :ref:`2_body_potential`.