[Wien] Orientation dependent ELNES and Euler angles

[Jakob B. Wagner]

OK thanks.

I think the answer from Peter Blaha, answer the orientation question in my
case, but what about more general cases as triclinic structures for
instance?


> The wave vector of the beam points in negative z direction.
> Euler angles are ZYZ convention.
> I think the question of crystal lattice and crystal cartesian coordinates
was answered by P. Blaha just a few days ago?
>
> Kevin.
>
>
> -----Oorspronkelijk bericht-----
> Van: Jakob B. Wagner [mailto:wagner_j at fhi-berlin.mpg.de]
> Verzonden: vr 3/26/2004 9:58
> Aan: wien at zeus.theochem.tuwien.ac.at
> CC:
> Onderwerp: [Wien] Orientation dependent ELNES and Euler angles
>
>
>
> Hi all
>
> I'm trying to do some orientation dependent ELNES simulation to which I
have
> the following questions:
>
> I'm dealing with a monoclinic structure (MoO2) beta=120deg.
>
> As far as I have figured out the initial in the ELNES simulations is that
> the electron beam is parallel to the c-axis of the structure (or is it
> antiparallel)
> How is the a- and b-axis aligned to the x- and y-axis of the cartesian
> refenrence system used together with the Euler angles?
>
> Which convention of the Euler angles are used: ZYZ or ZXZ?
>
> Jakob
>
> ------------------------------------------
>
> Jakob B. Wagner, Ph.D.
> FHI-MPG Berlin
>
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