[RMCProfile-users] EXAFS example

[Levin, Igor]

Dear Dylan,

We will supply you the up-to-date executable.  As Helen said, there were some issues with these utilities in the download package.    I will work out a shared drive solution and get the files to you tomorrow at the latest.

Best,

Igor

From: rmcprofile-users [mailto:rmcprofile-users-bounces at rmcprofile.org] On Behalf Of Dylan Fast
Sent: Wednesday, July 15, 2015 1:27 PM
To: rmcprofile-users at rmcprofile.org
Subject: Re: [RMCProfile-users] EXAFS example

Dear Igor,

I am just getting started so apologies if I am unclear about any of this. From what I can tell I am missing the EXAFS_INTER.exe and SCAT_ABS.exe from the executables folder of version 6.5.2. Version 6.5.1 has SCAT_ABS included but seems to be missing the other executable still. Have these been removed for revisions or am I just missing something?

To give you a little insight to the problem we are working on, we have X-ray and neutron total scattering on some amorphous mixed metal oxide films that we have used for some models in RMCProfile already. We recently got some EXAFS data that we would like to incorporate into the model as well. I have worked it up in Athena and Artemis and am just looking to get started on the process of incorporating it into the RMC calculations.

Please let me know if you need any additional information. Thank you for your help!

Best Regards,

Dylan Fast
Oregon State University
Dept. of Chemistry

On Wed, Jul 15, 2015 at 3:59 AM, Levin, Igor <igor.levin at nist.gov<mailto:igor.levin at nist.gov>> wrote:



Dear Dylan,



please explain your problem in more detail and we will get you going.  are you missing  the executables for the utilities that prepare exafs data for refinements?



Igor

________________________________
From: rmcprofile-users <rmcprofile-users-bounces at rmcprofile.org<mailto:rmcprofile-users-bounces at rmcprofile.org>> on behalf of Dylan Fast <fastd at onid.orst.edu<mailto:fastd at onid.orst.edu>>
Sent: Tuesday, July 14, 2015 2:12 PM
To: rmcprofile-users at rmcprofile.org<mailto:rmcprofile-users at rmcprofile.org>
Subject: Re: [RMCProfile-users] EXAFS example

Dear Dr. Playford,

I would like to follow up on the subject of this email if possible. I have some EXAFS data that I would like to try to incorporate into an x-ray PDF model that we have already made. Do you think you might have some time to discuss the logistics of this with me? The executables mentioned in the RMCProfile EXAFS manual do not seem to be included in the latest version.

Thank you very much for your help! Please let me know if you have any questions.

Best Regards,

Dylan Fast
Oregon State University
Dept. of Chemistry

On Mon, Mar 2, 2015 at 3:50 AM, <helen.playford at stfc.ac.uk<mailto:helen.playford at stfc.ac.uk>> wrote:
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<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<mailto: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<tel:%2B46%20018%20471%203144>
e-mail:carlos.triana at angstrom.uu.se<mailto:e-mail%3Acarlos.triana at angstrom.uu.se>
web:http://www.uu.se/

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