[Wien] Ferrimagnetic/Ferrimognetic

[Wien2k User]

Dear Prof. F. Tran
Thank you very much for your reply

Le mar. 14 juil. 2020 à 07:58, Tran, Fabien <fabien.tran at tuwien.ac.at> a
écrit :

> 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?
>
>
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