[Wien] ferrimagnetic

[Wien2k User]

*Dear Dr. Gerhard H. FecherThank you very much for your replay*

2018-05-21 19:25 GMT+02:00 Fecher, Gerhard <fecher at uni-mainz.de>:

> Increase the number of k points and see what happens
>
>
>
> Btw, an ferrimagnet may also exist if the atoms are of the same kind, it
> is a matter of symmetry,
> In antiferromagnets the sites are equivalent, in (compensated)
> ferrimagnets they are not.
>
> 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
> delamora [delamora at unam.mx]
> Gesendet: Montag, 21. Mai 2018 16:06
> An: A Mailing list for WIEN2k users
> Betreff: Re: [Wien] ferrimagnetic
>
> I would think that it is antiferro. For ferri one has different atoms for
> 'up' and 'dn', such as Sr2FeMoO6 with Fe 'up' and Mo 'dn' or Fe3O4 where O
> 'up' has a different crystal position from O 'dn'.
>
> 0.05 is small and with higher quality you would get a smaller value
>
>
> Pablo
> ________________________________
> Dear Wien2k Users;
>
> I made an antiferromagnetic calculation by a creation of a supercell and
> with opssed orientation of spin directions using runsp but I found that the
> total moment is not zero but its value is of (0.05),  can i consider the
> material as ferrimagnetic or it is antiferromagnetic
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180521/8dae3061/attachment.html>