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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