[Wien] Discrepancy in the simulation of the paramagnetic state

[Fecher, Gerhard]

How do you distinguish a diamagnetic, a paramagnetic, a ferromagnetic, and an antiferromagnetic state.

Think !

This will answer your question, hopefully.

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Abderrahmane Reggad [jazairdz at gmail.com]
Gesendet: Samstag, 26. November 2016 22:30
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] Discrepancy in the simulation of the paramagnetic state

Thank you Prof Blaha for your quick answer.

The Ni atom is 3d transition metal . But my question is about the simulation of the paramagnetic state. There are many people that considere that the paramagnetic state is the non-spin polarierd one and the magnetic moment is zero, but you say no and the magnetic moments exist in arbitrary directions and my quoting is about that.

I have given 2 examples for that discrepancy with your statement.

Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie