[RMCProfile-users] EXAFS example

[Carlos Triana Estupinan]

Dear
Helen

Thanks so much for your kind answer.
Yes, I have EXAFS data ready to run RMC in order to model the amorphous
structure of oxides. However, I am not sure if I have to fit the FFT in the
real espace (chi(k^-3) vs R (A)), or the k space representations
(k^-3(chi(k)) vs K(A^-1)).
Also,
for me it is not clear if it is possible to model a supercell with around
256 atoms or more.
If I have around 80 absorbers in different cartesian position who can I
define those absorbers in the file. What about if the local environment is
different, for example one absorber bounded with 4,5,6,7,8 oxygen atoms.
After data manipulation shall I fitt also the background and the others
spectra obtained by artemis or athena.
I know these are a lot of questions, and I know you are busy, but for me it
is very important to carry out these modellations.

Thanks so much for your help

best regards

2015-03-02 12:50 GMT+01:00 <helen.playford at stfc.ac.uk>:

>  Dear Carlos,
>
>
>
> We’ve recently been working on updating the EXAFS tutorial and that will
> be available in a future release (hopefully soon) so the examples mentioned
> in the EXAFS manual are not really applicable at present. If you have EXAFS
> data ready and are keen to get going, please drop me an email and we can
> discuss off-the-list the best way forward.
>
>
>
> Best wishes,
>
> Helen
>
>
>
> *From:* rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] *On
> Behalf Of *Carlos Triana Estupinan
> *Sent:* 19 February 2015 21:31
> *To:* rmcprofile-users at rmcprofile.org
> *Subject:* [RMCProfile-users] EXAFS example
>
>
>
> DEAR
>
> RMC group
>
>
>
> I want to know how can I get the files necessaries to run the EXAFS
> examples, since those files no appear in the folder I download months ago.
> Could you please tell me how can I get those files.
>
>
>
> best
>
>
>
>
>
> --
>
>
>
>
>
>
>
>
>
>
>
> *Carlos Augusto Triana Estupiñan (C.A. Triana-E) Physicist M.Sc. In
> Physical Sciences-Research PhD Student-Research Ångströmlaboratoriet,
> Lägerhyddsv. 1 Solid State physics Uppsala University, Box 534 751 21
> Uppsala, Sweden Tel: +46 018 471 3144 e-mail:carlos.triana at angstrom.uu.se
> <e-mail%3Acarlos.triana at angstrom.uu.se> web:http://www.uu.se/
> <http://www.uu.se/>*
>
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>
>


-- 











*Carlos Augusto Triana Estupiñan (C.A. Triana-E) Physicist M.Sc. In
Physical Sciences-Research PhD Student-Research Ångströmlaboratoriet,
Lägerhyddsv. 1 Solid State physics Uppsala University, Box 534 751 21
Uppsala, Sweden Tel: +46 018 471 3144 e-mail:carlos.triana at angstrom.uu.se
<e-mail%3Acarlos.triana at angstrom.uu.se> web:http://www.uu.se/
<http://www.uu.se/>*
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