[Wien] Question on terminology clarification in UG

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri May 20 08:23:28 CEST 2016


The UG says:

A operations: does not change magnetization, kept
C operations: changes magnetization somehow, discarded
B operations: "inverts" magnetization. When originally inversion 
symmetry is present, this type is kept, otherwise also discarded.

Magnetization is defined as axial vector (see UG), so you have to check 
the behaviour of the "induced current loop" under the sym.op.

I cannot say at the moment for sure what that means for a particular 
(odd m) orbital momentum contribution, but guess what you are saying is 
correct.

On 05/19/2016 05:42 PM, Laurence Marks wrote:
> When in the symmetso section of the user guide the term "reverse the
> magnetisation" is used for a particular symmetry operation, does this
> mean that this symmetry operation would reverse the orbital angular
> moment for m odd for the user specified direction, and then the sense of
> the magnetisation with spin-orbit coupling is reversed (if needed) in
> order to preserve the symmetry?
>
> --
> Professor Laurence Marks
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> nobody else has thought", Albert Szent-Gyorgi
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-- 

                                       P.Blaha
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