<div dir="ltr"><div>Dear</div><div>Helen</div><div><br></div><div>Thanks so much for your kind answer.</div><div>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)).</div><div>Also,</div><div>for me it is not clear if it is possible to model a supercell with around 256 atoms or more.</div><div>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.</div><div>After data manipulation shall I fitt also the background and the others spectra obtained by artemis or athena.</div><div>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.</div><div><br></div><div>Thanks so much for your help</div><div><br></div><div>best regards</div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-03-02 12:50 GMT+01:00 <span dir="ltr"><<a href="mailto:helen.playford@stfc.ac.uk" target="_blank">helen.playford@stfc.ac.uk</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">Dear Carlos,<u></u><u></u></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">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.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">Best wishes,<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">Helen<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> rmcprofile-users [mailto:<a href="mailto:rmcprofile-users-bounces@rmcprofile.org" target="_blank">rmcprofile-users-bounces@rmcprofile.org</a>]
<b>On Behalf Of </b>Carlos Triana Estupinan<br>
<b>Sent:</b> 19 February 2015 21:31<br>
<b>To:</b> <a href="mailto:rmcprofile-users@rmcprofile.org" target="_blank">rmcprofile-users@rmcprofile.org</a><br>
<b>Subject:</b> [RMCProfile-users] EXAFS example<u></u><u></u></span></p><div><div class="h5">
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<p class="MsoNormal">DEAR<u></u><u></u></p>
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<p class="MsoNormal">RMC group <u></u><u></u></p>
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<p class="MsoNormal">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.<u></u><u></u></p>
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<p class="MsoNormal">best<u></u><u></u></p>
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<p class="MsoNormal"> <br clear="all">
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">-- <u></u><u></u></p>
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<p><i><span lang="ES-TRAD">Carlos Augusto Triana Estupiñan (C.A. Triana-E)<br>
Physicist<br>
M.Sc. In Physical Sciences-Research<br>
PhD Student-Research <br>
Ångströmlaboratoriet, Lägerhyddsv. 1<br>
Solid State physics<br>
Uppsala University, Box 534<br>
751 21 Uppsala, Sweden<br>
Tel: +46 018 471 3144<br>
<a href="mailto:e-mail%3Acarlos.triana@angstrom.uu.se" target="_blank">e-mail:carlos.triana@angstrom.uu.se</a><br>
web:<a href="http://www.uu.se/" target="_blank">http://www.uu.se/</a></span></i><u></u><u></u></p>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr">
<p><i><span style="font-family:"Times New Roman"" lang="ES-TRAD">Carlos Augusto Triana Estupiñan
(C.A. Triana-E)<br>
Physicist<br>
M.Sc. In Physical Sciences-Research<br>
PhD Student-Research <br>
Ångströmlaboratoriet, Lägerhyddsv. 1<br>
Solid State physics<br>
Uppsala University, Box 534<br>
751 21 Uppsala, Sweden<br>
Tel: +46 018 471 3144<br>
<a href="mailto:e-mail%3Acarlos.triana@angstrom.uu.se" target="_blank">e-mail:carlos.triana@angstrom.uu.se</a><br>
web:<a href="http://www.uu.se/" target="_blank">http://www.uu.se/</a></span></i><span style="font-family:"Times New Roman"" lang="ES-TRAD"></span></p>
<i><span style="font-size:10.0pt;font-family:"Times New Roman"" lang="EN-US"></span></i>
<i><span style="font-size:10.0pt;font-family:"Times New Roman";color:#1a1a1a" lang="EN-US"></span></i></div></div>
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