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Ab initio Calculations Using FLEUR Code

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Downloads of the FLEUR code

 

Within the MaX project we created a series of FLEUR-releases. These can obtained via a download script, by manual downloads of tar-files, by git or for use in docker as described below.

FLEUR is an open-source code published under the MIT license.

Download via configure script

The probably easiest and best way to obtain FLEUR is to download our small installation script here, to put it into a directory that will become your source directory and (after renaming to configure.sh and making it executable) simple do a ./configure.sh. This will download the most recent release of FLEUR. If you do not have direct internet access on your machine or no git installed, you can also download tar-files below.

Download via git

The current release of FLEUR can also be downloaded by using the following git command:

git clone --branch release https://iffgit.fz-juelich.de/fleur/fleur.git

Tar balls

Please be aware that some features of our configure script will only work if you clone from the git-server. Hence we recommend using the configure script above or the instructions on the gitlab server.

Get the newest release as tar ball (right now this is the MaX 5.1 release of Fleur as of 10/04/2021).

Tar-balls of older releases:

GITLAB

The source code of FLEUR can also be found at the Fleur GitLab. This includes all the versions mentioned above as well as the most recent snapshots and development branches.

Running FLEUR within docker

We also provide a ready-to-run version of FLEUR in a docker image.

This Docker image can be used in the following way:

  • To run a FLEUR calculation, simply do docker run -v$PWD:/mnt judft/fleur. Note, that the FLEUR code needs disk-IO for its input-file and the resulting output. Hence you have to mount the corresponding directory ($PWD in this example).

  • To run the FLEUR input generator (inpgen), use docker run -v$PWD:/mnt judft/fleur inpgen INPUT_FILE. In this case the INPUT_FILE for inpgen has to be provided in the mounted directory.

  • Additional command line options for FLEUR or inpgen are also supported.

More ....

Quantum Mobile -- A virtual machine with all MaX-codes and AiiDA installed can be found on Github.

There is also a page with a few precompiled binaries.

After downloading the source we strongly recommend to have a look at the Documentation.

 

https://www.flapw.de/MaX-5.1/downloads/ 

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