Preparations
1. First comes first
At the command line, create a folder for this tutorial and a handy environment variable for configurations:
mkdir TMO-Tutorial
cd TMO-Tutorial
export TUTORIALHOME=$(pwd)
2. How to install FHI-aims
- Make sure you are in the
TMO-Tutorial
folder. - Clone FHI-aims via:
git clone git@aims-git.rz-berlin.mpg.de:aims/FHIaims.git
- Follow the instructions on this page: https://aims-git.rz-berlin.mpg.de/aims/FHIaims/-/wikis/CMake%20Tutorial
3. How to install clims
- Make sure you are in the
TMO-Tutorial
folder. - Clone clims via:
git clone git@gitlab.com:FHI-aims-club/utilities/clims.git
- Follow the installation instructions here: https://gitlab.com/FHI-aims-club/utilities/clims/-/blob/master/README.md
- Configure clims:
clims-configure --species-path $TUTORIALHOME/FHIaims/species_defaults
4. How to find GIMS
You can find GIMS here: https://gims.ms1p.org
5. Learn the basics about FHI-aims
If you are new to using FHI-aims, we recommend to study the tutorial Basics of Running FHI-aims to get used to run FHI-aims for molecules and soldis.