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

Error Larch installation
by Christian Wittee Lopes 17 May '22

17 May '22

Dear Matt and members of the XAFS community. I'm trying to install Larch and after the installation process, I'm not able to run the program. It doesn't open. I am trying the Binary Installer File for Windows (64 bit). The error I get when running Larch GUI can be seen in the attachment. Am I doing something wrong? [image: image.png] Thank you in advance. Christian Wittee -- Christian Wittee Lopes Visiting Researcher - ANP/FINEP - PRH 50.1 Institute of Chemistry, Universidade Federal do Rio Grande do Sul (UFRGS) chriswittee(a)gmail.com LinkedIn <https://www.linkedin.com/in/christian-wittee-lopes-561855219/> | ORCID <https://orcid.org/my-orcid?orcid=0000-0001-8420-1958> | Lattes <http://lattes.cnpq.br/4953371870936050>

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structure for reference Mn foil
by Hu, Yang (HIU) 17 May '22

17 May '22

Dear IFEFFIT members, I have been trying to obtain the S02 value from metal reference foils measured at the beamline. However, I constantly got a very low S02 value, such as 0.2 or 0.3 using Mn alpha or gamma cif file (first shell of 12 Mn). Only Mn-beta (4 subshell * 3 Mn) could give a S02 in the range 0.8 ~ 1, depending on whether I constrained sigam2 for all the 12 Mn or whether I fixed the CN for each subshell. But the uncertainty is very high. I also fitted the MnO measured together leaving S02 variable, and it resulted in a S02 close to 1. So I am guessing I didn't use the correct structure file for Mn foil . I appreciate if someone could help on this! Best regards, Yang Hu

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1. structure for reference Mn foil (Hu, Yang (HIU))
by Pierre Lecante 13 May '22

13 May '22

Dear Yang Hu, Your experience rings à bell in my mind: several times we got weird data from Co and Fe NPs, with S02 close to 0.2, much smaller than expected for a simple size effect. The point is that PDF studies were consistent with the so called Co Epsilon structure... based on the Mn beta phase, very disordered. By the way, I'd be very interested to check hypothesis on my side : I'd be very glad if you could provide me à data set. Sincerely, Pierre Lecante Le 13 mai 2022 19:00:01 GMT+02:00, ifeffit-request(a)millenia.cars.aps.anl.gov a écrit : >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. structure for reference Mn foil (Hu, Yang (HIU)) > > >---------------------------------------------------------------------- > >Message: 1 >Date: Thu, 12 May 2022 18:29:19 +0000 >From: "Hu, Yang (HIU)" <yang.hu(a)kit.edu> >To: "Ifeffit(a)millenia.cars.aps.anl.gov" > <Ifeffit(a)millenia.cars.aps.anl.gov> >Subject: [Ifeffit] structure for reference Mn foil >Message-ID: <999901d0ad3743f59182feca823a08bd(a)kit.edu> >Content-Type: text/plain; charset="us-ascii" > >Dear IFEFFIT members, > > > >I have been trying to obtain the S02 value from metal reference foils >measured at the beamline. > > > >However, I constantly got a very low S02 value, such as 0.2 or 0.3 using Mn >alpha or gamma cif file (first shell of 12 Mn). Only Mn-beta (4 subshell * 3 >Mn) could give a S02 in the range 0.8 ~ 1, depending on whether I >constrained sigam2 for all the 12 Mn or whether I fixed the CN for each >subshell. But the uncertainty is very high. > > > >I also fitted the MnO measured together leaving S02 variable, and it >resulted in a S02 close to 1. So I am guessing I didn't use the correct >structure file for Mn foil . > > > >I appreciate if someone could help on this! > > > >Best regards, > >Yang Hu > > > > > >

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Larch 0.9.59, problems with PCA
by Mangold, Stefan (IPS) 10 May '22

10 May '22

Dear all, on 2 computers (Mac, Intel and ARM, newest version operating system) the PCA does not work. If I press "Build Model with selected groups“ on both computers and several different datasets, I only get „training model“ and nothing else happens. Absolutely nothing else changes within this tab inside XAS viewer. Best regards Stefan Mangold

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Question about an EXAFS analysis of C60-Cu/SiO2
by 王茂林 06 May '22

06 May '22

Dear IFEFFIT members, Recently I have read a paper <ambient-pressure synthesis of ethylene glycol catalyzed by C60-buffered Cu/SiO2> (https://www.science.org/doi/10.1126/science.abm9257) I have a question about the EXAFS analysis: the wavelet transform of C60-Cu/SiO2 (Figure S15B) has 2 peaks at (k, R) = (1.4, 2.2) and (3.8, 1.5), the author assigned them to Cu-C and Cu-O, respectively. And they think Cu-C is derived from d-\pi interactions between Cu and C60. However, Cu-C and Cu-O paths can hardly be separated since the f(k) and \phi(k) are nearly identical for C and O. Besides, the Cu-C distance is ~2 angstrom (according to the ref. 30: S.-Z. Zhan et al., J. Am. Chem. Soc. 2020, 142, 5943-5947.), why it can have a peak at R = 2.2 angstrom? (with Cu-O R = 1.5 angstrom) Thanks you advance for you time! Best regards, Maolin Wang

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2022 APS/IIT XAFS Summer School
by Matt Newville 24 Apr '22

24 Apr '22

Hi Folks, The APS/IIT XAFS Summer School will be July 24-29, 2022 at the Illinois Institute of Technology. The school will be in-person but limited to 40 students due to continuing concerns about COVID. See the attached flyer for details. For even more information, and to apply, please email bunker(a)iit.edu with the subject line “2022 XAFS School”. --Matt Newville

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XAFS 2022 reminders
by Matt Newville 21 Apr '22

21 Apr '22

Hi Folks, Another reminder for XAFS 2022: The abstract deadline has been extended to Monday, April 25th, but with a deadline of midnight Sydney time: https://xafs2022.org And, nominations for the IXAS awards are due May 1: https://xrayabsorption.org/ixas-awards-2022/ Cheers, --Matt

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a Windows GUI for wavelet transformation of EXAFS
by Peng Liu 11 Apr '22

11 Apr '22

Dear XAS community, I would like to share a Windows GUI for wavelet transformation of EXAFS. It is written in Python by my student Zhihang Ye. There are also other applications developed by different groups. This one may be more user-friendly. The GUI, instructions, code, references, and other related information are in GITHUB. https://github.com/Himmelspol/wtEXAFS If you find any problems or have any suggestions, please let us know. -- Best Regards, Peng Liu School of Environmental Studies China University of Geosciences, Wuhan, Hubei Province, PR China https://scholar.google.com/citations?user=qUtyvokAAAAJ&hl=en http://grzy.cug.edu.cn/049121/zh_CN/index.htm

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Re: [Ifeffit] Ifeffit Digest, Vol 230, Issue 6
by Vitova, Tonya (INE) 08 Apr '22

08 Apr '22

Dear XAS/XES community, I would like to share with you our new opening for a postdoc/scientist with strong background in synchrotron radiation instrumentation, XAS/XES spectroscopy and ideally with experience in developing and building XES spectrometers. https://www.pse.kit.edu/karriere/joboffer.php?id=61306&new=true&language=de The description is only in German. In case you have questions, please do not hesitate to write me: Tonya.Vitova(a)kit.edu Best regards, Tonya -----Ursprüngliche Nachricht----- Von: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> Im Auftrag von ifeffit-request(a)millenia.cars.aps.anl.gov Gesendet: Donnerstag, 7. April 2022 07:53 An: ifeffit(a)millenia.cars.aps.anl.gov Betreff: Ifeffit Digest, Vol 230, Issue 6 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. PhD at LPG, IMN in Nantes and SOLEIL Synchrotron (morizet-y) ---------------------------------------------------------------------- Message: 1 Date: Thu, 7 Apr 2022 07:53:05 +0200 From: morizet-y <yann.morizet(a)univ-nantes.fr> To: ifeffit(a)millenia.cars.aps.anl.gov Cc: TRCERA Nicolas <nicolas.trcera(a)synchrotron-soleil.fr>, Michael Paris <Michael.Paris(a)cnrs-imn.fr> Subject: [Ifeffit] PhD at LPG, IMN in Nantes and SOLEIL Synchrotron Message-ID: <d04b284c-2517-9b28-5c7b-c683c3a9ff98(a)univ-nantes.fr> Content-Type: text/plain; charset="utf-8"; Format="flowed" Dear all, Please find attached a PhD position to be circulated and starting in october 2022. The PhD involves the LPG and IMN laboratories in Nantes as well as the SOLEIL Synchrotron near Paris. Best regards, Yann Morizet -- ___________________________________________ Dr Yann Morizet Ma?tre de Conf?rence Laboratoire de Plan?tologie et G?osciences Nantes (LPG) UMR-CNRS 6112 Universit? de Nantes 2 rue de la Houssini?re 44322 Nantes Cedex (FRANCE) t?l: +33 (0) 2 5112 5491 fax: +33 (0) 2 5112 5268 ___________________________________________

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PhD at LPG, IMN in Nantes and SOLEIL Synchrotron
by morizet-y 07 Apr '22

07 Apr '22

Dear all, Please find attached a PhD position to be circulated and starting in october 2022. The PhD involves the LPG and IMN laboratories in Nantes as well as the SOLEIL Synchrotron near Paris. Best regards, Yann Morizet -- ___________________________________________ Dr Yann Morizet Maître de Conférence Laboratoire de Planétologie et Géosciences Nantes (LPG) UMR-CNRS 6112 Université de Nantes 2 rue de la Houssinière 44322 Nantes Cedex (FRANCE) tél: +33 (0) 2 5112 5491 fax: +33 (0) 2 5112 5268 ___________________________________________

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