[Wien] Orientation sensitive TELNES3 calculations

[Y.Shinoda]

Dear Dr. Che R. Seabourne

Hello.
I contacted Prof. Kevin Jorissen, who is the main developer of TELNES,
with Prof. Peter Blaha's help.
The Euler angles (0,0,0) of "Orientation Sensitive" means that the
electron beam is parallel to the c-axis
of the crystal.


ORIENTATION SENSITIVE
alpha beta gamma
→
1.rotate alpha degrees about z-axis
2.rotate beta degrees about y-axis
3.rotate gamma degrees about z-axis


In addition, ORIENTATION SENSITIVE mode needs bigger values of NR and/or
NT as far as I know.
In my case, NR is 50.(30 was too small)

Best wishes

Y. Shinoda

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Yasuhiro Shinoda
Institute for Chemical Research,
Kyoto University, Uji, Kyoto 611-0011, Japan
TEL: +81-774-38-3054
FAX: +81-774-38-3055
Email: shinoda at eels.kuicr.kyoto-u.ac.jp
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