FHI-aims
Description
Efficient, accurate all-electron, full-potential electronic structure code package for computational molecular and materials science.
Use
Upcoming modulesystem change alert!
Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.
You can test the new version now by adding a line
source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules
to your script before loading a module. Then, you can list all versions of fhi-aims and load default version of fhi-aims as
module avail fhi-aims/ # list available modules module load fhi-aims # load (default) module
If you wish to keep up to the current system, it is still possible. Simply list all modules by
module avail fhi-aims
and choose explicit version you want to use.