[Wien] Beween non spin polarized and spin polarized calculations

Abderrahmane Reggad abde.reggad at gmail.com
Fri Nov 8 14:12:39 CET 2019


  Can we get the NM structure of fcc Fe which gives a zero moment when we
use spin polarized calculation? Is it the FSM procedure the good choice?
I have to mention that the fe metal is an unpaired electron system wheras
the Au  metal is a paired electron system. Can we get a ferromagnetic
solution for a Fcc Au metal?




-- 
Dr. Abderrahmane Reggad
Engineering Physics Laboratory
Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000,
Algeria
Tel: +213(0)561861963 - Algeria
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20191108/5a1a70d7/attachment.html>


More information about the Wien mailing list