[Wien] A few (more) elementary -so questions (with onsite -eece)

[Laurence Marks]

Typo:

"although I remember don't symmetry operations being split into these two
classes everywhere in the code"


On Mon, May 4, 2015 at 6:04 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> I am a newbie at -so, so a few simple questions.
>
> a) What is the meaning of the orbital moment in case.scfdm* ? Is that the
> average direction projected to the global axis system?
>
> b) What is the physical significance of the orbital moment being parallel
> (or not quite parallel) to the direction used in case.inso?
>
> c) I understand that the results for different directions of B in
> case.inso reflect the magnetic anisotropy, but what are the units of field
> (if any)?
>
> d) What else is worth looking at? The partial orbital moment (:POM) seems
> relevant, but what exactly is it?
>
> e) I am "blindly" trusting that initso knows what it is doing, and have
> left the "B" symmetry operations in case.struct (although I remember
> symmetry operations being split into these two classes everywhere in the
> code). This seems to conflict with Pavel's notes, although those may be too
> old.
>
> Thanks.
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu
> Corrosion in 4D: 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
>



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150504/b2870fae/attachment.html>