- Ifeffit - millenia.cars.aps.anl.gov

Problem with Demeter Artemis 0.9.10
by Matt Frith 10 Sep '12

10 Sep '12

Hi All, I have come across an bug with Demeter 0.9.10. When I go to open an old format Artemis project file I will see, "Converting old-style project file to Demeter serialization" written in the progress bar, and then the program will quit without opening the file. The problem occurs on both 32 and 64bit Windows 7. I uninstalled the program and reinstalled Demeter 0.9.9 and there are no issues with 0.9.9. The dartemis.log contains: Can't locate object method "inp_is_feff8" via package "Demeter::Feff::External" at C:/strawberry/perl/site/lib/Demeter/Fit/Horae.pm line 110. I hope this is helpful. It seems to be similar to the problem posted by Riamundo, and I hope that I have not missed a previously posted solution. Attached is one of the project files that I have used. Sincerely, Matt Frith

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Washington (ifeffit)
by washington gomes 10 Sep '12

10 Sep '12

Dearcolleagues, I'm using the Ifeffit program command-line version 0.9c for win32 to analyze my data in the XAFS region. I did treatment at a data using ifeffit program , after making this adjustment i typed the following command: Ifeffit> save (my.save) Was saved a file with all parameters set. Then I typed the following command: Ifeffit> restore (my.save) Notonefilewasrestored. Whatcommands should I enter to retrieve this data set for use in another program like origin 6.0 professional. Sincerely yours: Washington

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Re: [Ifeffit] How to write feff.inp file for CO adsorbed Cu?
by Zhaomo Tian 06 Sep '12

06 Sep '12

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Re: [Ifeffit] How to write feff.inp file for CO adsorbed Cu?
by Zhaomo Tian 06 Sep '12

06 Sep '12

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Re: [Ifeffit] Ratio of peak amplitudes in R-space
by Rana, Jatinkumar Kantilal 05 Sep '12

05 Sep '12

Dear Christopher, Dear Scott, Thank you so much for your valuable feedback. I will now attempt to quantify the observed change in amplitude ratios by fitting data with theoretical standards. With best regards, Jatin -----Original Message----- From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request(a)millenia.cars.aps.anl.gov Sent: Mittwoch, 5. September 2012 15:26 To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 115, Issue 2 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Ratio of peak amplitudes in R-space (Rana, Jatinkumar Kantilal) 2. Re: Ratio of peak amplitudes in R-space (Christopher Patridge) 3. Re: Ratio of peak amplitudes in R-space (Scott Calvin) 4. How to write feff.inp file for CO adsorbed Cu? (Zhaomo Tian) 5. Re: How to write feff.inp file for CO adsorbed Cu? (Jason Gaudet) ---------------------------------------------------------------------- Message: 1 Date: Wed, 5 Sep 2012 12:01:01 +0000 From: "Rana, Jatinkumar Kantilal" <jatinkumar.rana(a)helmholtz-berlin.de> To: "ifeffit(a)millenia.cars.aps.anl.gov" <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] Ratio of peak amplitudes in R-space Message-ID: <F11168F9CA572049ADA84F3072DE5DB135C7180D@didag2> Content-Type: text/plain; charset="us-ascii" Dear Ifeffit community, I was wondering If I can make a qualitative comparison about the amplitude ratio of first two shells for various states of same sample ? For example, I have a sample which is measured at various states, say A, B, C, D and E during any physical or chemical process. I get systematic change in the ratio of first two peaks at each state. This could be interpreted either as change in disorder or as change in number of atoms associated with first two shells as a result of any physical or chemical change material has undergone. As we know that amplitude of peak decreases with increase in distance from central absorber. Can I compare the amplitude ratio of first two peaks for various states of same sample ?? Many thanks in advance !!! With best regards, Jatin ________________________________ Helmholtz-Zentrum Berlin f?r Materialien und Energie GmbH Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V. Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph Gesch?ftsf?hrung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking Sitz Berlin, AG Charlottenburg, 89 HRB 5583 Postadresse: Hahn-Meitner-Platz 1 D-14109 Berlin http://www.helmholtz-berlin.de

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Ratio of peak amplitudes in R-space
by Rana, Jatinkumar Kantilal 05 Sep '12

05 Sep '12

Dear Ifeffit community, I was wondering If I can make a qualitative comparison about the amplitude ratio of first two shells for various states of same sample ? For example, I have a sample which is measured at various states, say A, B, C, D and E during any physical or chemical process. I get systematic change in the ratio of first two peaks at each state. This could be interpreted either as change in disorder or as change in number of atoms associated with first two shells as a result of any physical or chemical change material has undergone. As we know that amplitude of peak decreases with increase in distance from central absorber. Can I compare the amplitude ratio of first two peaks for various states of same sample ?? Many thanks in advance !!! With best regards, Jatin ________________________________ Helmholtz-Zentrum Berlin f?r Materialien und Energie GmbH Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V. Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph Gesch?ftsf?hrung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking Sitz Berlin, AG Charlottenburg, 89 HRB 5583 Postadresse: Hahn-Meitner-Platz 1 D-14109 Berlin http://www.helmholtz-berlin.de

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How to write feff.inp file for CO adsorbed Cu?
by Zhaomo Tian 05 Sep '12

05 Sep '12

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Launching Problem (D)Athena and Co.
by Alfred Hummer 30 Aug '12

30 Aug '12

Ok, I found the problem. There was a version of MinGW installed on the computer. I just placed the MinGW PATH variables after the strawberry ones, and it worked. So it was a special conflict between software packages on my PC. best, Alfred

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Troubles opening saved Artemis (Demeter package) project files.
by Raimundo Lora Serrano 29 Aug '12

29 Aug '12

Hi all, I'm new in the list and I didn't find any problem like this one in the Mail Archive. I have installed Demeter on Windows 7 (Ultimate version, SP1). Upon creating and saving a (new) Artemis project file I tried to open it both by double-clicking or by first launching Artemis and importing it from the "Open project data" option but the Artemis windows stick around a few seconds, and then disappear, along with the black DOS window. No notice of a crash appears; the program just fails to launch. This not only happens with this file but other files cannot be opened also after being saved. Any(s) suggestion(s)? Many thanks in advance. Raimundo

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Washington (Atoms)
by washington gomes 25 Aug '12

25 Aug '12

Dear Colleague, Iwould like you to help me with attached file átomos.inp I am sending to you. Typed parameters atomic position of La0.7Sr0.3CoO3 atoms on the web.Atomsin the program for generating lists of atomic coordinates from crystallographic data and appearedthe following message after running atoms. These sites: "La1" "Sr1" generate one or more common positions and their occupancies sum to more than 1. Yours sincerely: Washington C. M. Gomes

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