[Wien] ELNES: q orientation

[Jorissen Kevin]

Hi Giovanni,
 
you definitely need option H (not F).  Just keep Thetabragg = 0 ; it's a special option which is rarely used.  If you want k0 and k to be parallel, put ThetaX and ThetaY to zero.  These two angles control the orientation of k with respect to k0.
The Euler angles define the orientation of the beam with respect to the crystal.  They are indeed defined for a transformation between two carthesian bases (the Bravais matrix is used internally by the telnes program) : the laboratory (== beam) basis, and a carthesian crystal basis (with its z axis parallel to the c basis vector of the crystal lattice).  So, to hit your sample along the c-direction, you would use Euler angles 0,0,0.  To put the beam in the a,b - plane, you could use 0,90,0.
 
 
kind regards,
Kevin.
EMAT
University of Antwerp, Belgium.
 
 

	-----Oorspronkelijk bericht----- 
	Van: Bertoni Giovanni [mailto:giovanni at cemes.fr] 
	Verzonden: ma 12/1/2003 9:28 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] ELNES: q orientation
	
	

	Dear users,
	could someone explain me how to set an orientation of q in ELNES program
	(case.innes) ?
	let's q = k0 - k'
	if I take option N, I integrate on the full solid angle, isn't it (all
	q) ?
	so I need F or H.
	is k' oriented along z' of the observer ?
	so if I put 2*thetaBragg=0  k0 is parrallel to k' and parallel to q?
	how can I orient q (or k0 if it is parallel in the case) ?
	
	the Euler angles of the observer are respect to the x, y, z, cartesian
	axes?
	or respect to the vector of the bravais matrix defined in tab 4.4 of pag
	39 of the manual
	(treating the case.struct file)
	Please tell me. I am a little bit confusing....
	Thank you.
	giovanni
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