[Wien] Orientation dependent ELNES and Euler angles

[Jorissen Kevin]

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
	
	----------------------key:1-0.0735-11600-23.05:fhi--------------------
	
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