[Wien] Question about symmetry of detector position in TELNES calculation

[Kevin Jorissen]

Can you share your calculation with me (e.g. Dropbox link)?  I'm aware of
an issue (fixed in developers version) that could apply here.

Cheers,

Kevin


On Wed, Apr 15, 2015 at 12:42 AM, Atsushi Yamaguchi <
yatsushi at eels.kuicr.kyoto-u.ac.jp> wrote:

> I have a question about setting DETECTOR POSITION for TELNES.
>
>
>
> TELNES has a keyword “DETECTOR POSITION” with two parameters, theta_x and
> theta_y, and I'm using this to analyze the scattering angle dependency of
> EELS.
>
>
>
> When the crystal has symmetric rocksalt structure, the intensity
> distribution of EELS in scattering angle should be symmetric.
>
> But it isn't in fact in theta_x when RELATIVISTIC = 1(fully relativistic).
>
>
>
> The sample is TiC(calculate C-K edge). I also set ORIENTATION SENSITIVE
> key alpha = 0.00, beta = 0.00, and gamma = 0.00.
>
> The Q-mesh settings are NR = 50, and NT = 4.
>
> When the detector shifts along theta_y axis (e.g. theta_x = 0.000 mrad and
> theta_y = +/-1.000 mrad), the intensity of EELS are almost the same and the
> distribution shows synmetry.  This seems correct.
>
> On the other hand, the intensities at theta_x = +/-1.000 mrad (theta_y = 0
> mrad) show large difference, and the distribution seems asymmetric.
>
>
>
> What is the reason behind this?
>
>
>
> Thanks for your help.
>
>
>
> best regards
>
>
>
> A. Yamaguchi
>
>
>
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