[Wien] (no subject)

[pieper]

That's why I told you to look critically at both, the experiments and 
the calculations: in experiments a high Neel temperature may hide an AF 
state.

However, you do realize that changing the convergence criteria alone 
almost certainely will NOT give you the large moment moment Gerhard 
Fecher found instead of your practically zero 0.05 mu_B? You will have 
to follow his suggestions about the initial state!


---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 09.09.2017 02:08, schrieb Abderrahmane Reggad:
> Hi
> 
> Before doing the calculation again with the new energy and charge
> criterion I let you this old article  <here the author found the VS to
> be antiferromagnetic with 3/2 magnetic moment for V.
> 
> http://journals.jps.jp/doi/abs/10.1143/JPSJ.14.196
> 
> Best regards
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