Recent posts
View all
Electronic Calculations
How to calculate the Band structure of Silicon using scripts
In a previous tutorial, we have calculated the band structure of silicon using the interactive mode ( How to calculate the Band structure of Silicon …
Read more
Electronic Calculations
How to calculate the DOS of Copper (MaX-5.1 version)
To download and install MaX-5.1 version of Fleur code click on the following link: How to download and install Fleur code (Version MaX-5.1) To c…
Read more
Electronic Calculations
How to calculate the Band structure of Silicon (MaX-5.1 version)
To download and install MaX-5.1 version of Fleur code click on the following link: How to download and install Fleur code (Version MaX-5.1) To c…
Read more
Using the input generator (Version MaX-5.1)
The basic input of Fleur is the inp.xml file . As it does not only contain switches to control the calculation but also a detailed setup of the syst…
Read more
Installation
How to download and install Fleur code (Version MaX-5.1)
We need to add the path to the .bashrc file #---------Fleur path---------------------------------- export FLROOT=/home/algerien/abinitio/fleur/b…
Read more
Videos
Videos of talks introducing FLEUR
Here you find a collection of talks used in the Online Hands-on tutorial 2021 to introduce FLEUR MaXR5.1. In most cases pdf-files of the transparen…
Read more
My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
Learn More →