Re: [Wien] Question on terminology clarification in UG

[Peter Blaha]

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
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu  ;
Corrosion in 4D: MURI4D.numis.northwestern.edu

Partner of the CFW 100% program for gender equity,
www.cfw.org/100-percent 
Co-Editor, Acta Cryst A


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  P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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[Wien] Question on terminology clarification in UG

[Laurence Marks]

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
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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