[Wien] the question on "calculation of energy loss near edge structure"

[David Holec]

Dear Guohua,

this is possible with the current Telnes.2 program. In w2web you need
to turn on the "expert" option. After that you will get some more
input options in the ELNES setup where you specify to do an
orientation resolved calculation (i.e. to account for an actual
orientation between the crystal and the electron beam).

I remember that when doing this last I had some problems since the
w2web-elnes applet did not change correctly the STRUCT file and I
needed to correct by hand the ISPLIT parameter - please consult the UG
for details.

Hope this helps. All the best,
David

2009/1/29 Zhong Guohua (Dr) <GHZHONG at ntu.edu.sg>:
> Dear All,
>
> Happy new year!
>
> We have known that the calculation of energy loss near edge structure
> (ELNES) can run by the WIEN2k code.
> Here, would you like to tell us how to calculate the ELNES along some
> crystal orientations, such as [110] and [001]?
> Or say, could the wien2k code be used to calculate the  ELNES along some
> crystal orientations?
> Please help us and give us any advice. Thanks you very much!
>
> Best wishes!
>
> Guohua
>
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