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Preparations#

Webinar users

For the webinar participants, there is no need to follow these preparations, everything will be available on the cluster for you. Please consult the README.md that will be in your home directory for further details.

1. Download the tutorial material#

You can download all of the tutorial material either as a tarball, or, if you are familiar with git, with the following command:

git clone git@gitlab.com:FHI-aims-club/tutorials/thermal-transport-with-fhi-vibes.git

2. Install FHI-aims#

Info

This tutorial has been tested with FHI-aims version 240920.

The installation of FHI-aims follow the instructions

  1. on this page: https://fhi-aims-club.gitlab.io/tutorials/cmake-tutorial/,
  2. or on our wiki (with several templates for different architectures): https://aims-git.rz-berlin.mpg.de/aims/FHIaims/-/wikis/CMake%20Tutorial,
  3. or, alternatively, download and read the manual.

3. Install and configure FHI-vibes#

Info

FHI-vibes version v1.1.0 or newer is needed for this tutorial.

All necessary information about how to install FHI-vibes can be found here:

https://vibes-developers.gitlab.io/vibes/Installation/

For this tutorial, we need Phono3py package which is a optional dependencies of FHI-vibes. The Prerequisites(Optional) is needed.