[Wien] Ferrimagnetic/Ferrimognetic

[Tran, Fabien]

Hi,

If the system spontaneously became ferrimagnetic, then most likely it means that it is more stable (i.e., a more negative total energy) than ferromagnetism. There is no reason to redo the ferrimagnetic calculation, since you have it already.


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Wien2k User <wien2k.user at gmail.com>
Sent: Tuesday, July 14, 2020 1:25 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Ferrimagnetic/Ferrimognetic

Dear Wien2k users;

we have done an SCF calculation for a compound that contains two different magnetic atoms, we oriented the spins of the two atoms in the same direction  along z (ferromagnetic case) but at the end of the calculation, we found that they are moving antiparallelally (ferrimagntism)
in this case, can we judge that the ground state of this material is ferrimagnetic .? or else we have to redo the calculation with two different directions  (antiparallelally) to confirm?


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200714/b9a5670d/attachment.html>