The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

Do you mean you want to consider ions with so much valence electron that some of them would have non negligible relativistic effect ?
Otherwise, you can use various kind of pseudopotentials and pseudopotentials generator with Abinit. And most of them works with a relativistic description of the electrons. That is the relativistic behavior is included only where it matters the most : to describe core electrons. Endly, for as much as I know, the behavior of the valence electron is described with the classical schrödinger equation within Abinit. That is without any relativistic effect.

regards

PMA

On Wed, Mar 26, 2008 at 10:33 AM, <n_ilesdz@yahoo.fr> wrote:

Hello, I am a new abinit user, and I have a question about calculation: are abinit calculations retativist for heavy atoms or should I introduce a variable for that?
Advanced thanks.

-- 
Pierre-Matthieu Anglade