[Wien] Physical significance of magnetization direction with -so

[Laurence Marks]

For a ferromagnetic material, Ok, but for AFM or a non magnetic insulator
that does not feel right.
On May 3, 2015 2:19 PM, "Fecher, Gerhard" <fecher at uni-mainz.de> wrote:

> The results should depend, indeed.
> they give you for example the difference between easy (lowest energy) and
> hard (highest energy) direction.
>
>
> From the different total energies for different directions you find the
> anisotropy energies, see textbooks on magnetism by Coey or Getzlaff.
> It may need brute force numbers of k points as remarked by Kübler in his
> textbook
>
> 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-bounces at zeus.theochem.tuwien.ac.at [
> wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [
> L-marks at northwestern.edu]
> Gesendet: Sonntag, 3. Mai 2015 19:37
> An: A Mailing list for WIEN2k users
> Betreff: [Wien] Physical significance of magnetization direction with -so
>
> An elementary question: do the results of -so depend upon the
> magnetization direction used in initso, or should they in principle be
> independent of it?
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu<http://www.numis.northwestern.edu>
> Corrosion in 4D: MURI4D.numis.northwestern.edu<
> http://MURI4D.numis.northwestern.edu>
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> Albert Szent-Gyorgi
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