Preparations
Webinar Participants
For the participants of the hands-on session on AWS, 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:
2. Install FHI-aims
Info
This tutorial has been tested with FHI-aims version 240920
.
The installation of FHI-aims follow the instructions
- on this page: https://fhi-aims-club.gitlab.io/tutorials/cmake-tutorial/,
- or on our wiki (with several templates for different architectures): https://aims-git.rz-berlin.mpg.de/aims/FHIaims/-/wikis/CMake%20Tutorial,
- or, alternatively, download and read the manual.
3. Install aimsChain
aims-chain
is package for finding minimum energy path and transition state, for FHI-aims. You can simply install it via:
4. Install clims
clims
is a command-line interface for materials simulations for FHI-aims. It simplifies and streamlines the generation of input files. clims
requires at least Python 3.9
. You can simply install it via:
More information can be found in the README of clims.