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

XAS spectra for K4[Fe(CN)6] and K3[Fe(CN)6]
by Charmaine Nkala 08 Sep '25

08 Sep '25

Dear all, I am looking for Fe K-edge XAS spectra for K4[Fe(CN)6] and K3[Fe(CN)6] that I can use as standards for linear combination fitting. If anyone has the data and they don't mind sharing, I would be grateful. I have checked the databases https://urldefense.us/v3/__https://ixdb.jxafs.org/__;!!G_uCfscf7eWS!foQ6c2e… and https://urldefense.us/v3/__https://xasdb.lightsource.ca/__;!!G_uCfscf7eWS!f… as previously suggested in past requests, to no avail. Thank you, in advance, for your assistance. Kind regards, Charmaine

3 2

post-doc position in the field of X-ray and UV Photoelectron Spectroscopy at University of Nova Gorica, Slovenia
by iztok.arcon＠guest.arnes.si 05 Sep '25

05 Sep '25

Dear all, The University of Nova Gorica (Slovenia) is offering a position of assistant with PhD (postdoctoral associate) in the field of X-ray and UV photoelectron spectroscopy. Details for the applications are published on: https://ung.si/en/news/news/6929/assistant-with-phd-postdoctoral-associate-… Inquiries regarding the research work should be addressed to Prof. Giovanni De Ninno: giovanni.de.ninno(a)ung.si . Deadline for the applications is 18. 9. 2025 regards Iztok Arčon

1 0

Elemental concentrations in XRFMap_Viewer
by Tian, Tony 04 Sep '25

04 Sep '25

Good afternoon, Thanks for the platform to address X-ray related questions. I was using XRFMap_Viewer in the Larch package to look at some uXRF data of my soil samples, and the main element of interest is Fe, and to some extent Mn too. I went through the steps to choose them (Ar was auto detected), calculate model, then fit model. Under the Composition tab, concentrations were given as in the screenshot below. The dropdown units has 3 options (ng/mm^2, wt % and ppm), but when i switch among them, none of the values changed. From a bit research online, I seem to understand there are two approaches to get absolute elemental concentrations. One is by measuring reference standards and establishing calibration curves, and the other is by fundamental parameters which is built-in in Larch (or XRFMap_Viewer in my case?). We didn't run any standards at the time. Could anyone please shed some light on how [Fe] in weight % can be computed in a built-in manner? Thank you. [cid:75a2d0c6-35d4-4136-b519-73fde6e623ad] [cid:4a98ae3b-96c2-4348-b138-4312b63ceafd] Best regards, Tony

2 1

Symposium on Data-Driven Approaches in X-ray Absorption Spectroscopy
by Clark, Adam Hugh 04 Sep '25

04 Sep '25

Dear Colleagues, We are delighted to announce the upcoming Symposium on Data-Driven Approaches in X-ray Absorption Spectroscopy, which aims at bringing together researchers in the field of x-ray absorption spectroscopy, machine learning, and computational modelling. This symposium will focus on recent developments in data-driven and machine learning techniques for the interpretation of XANES and EXAFS spectra, enabling new insights into materials structure and dynamics from large complex operando/in situ datasets. The program will feature four themed sessions: * Data-Driven Decomposition and Spectral Extraction * Machine Learning for XANES Prediction and Analysis * Advanced Approaches to EXAFS Analysis * Bridging Simulations and Experiments with Machine Learning Date: 5th-6th January 2026 Location: ETH Zurich Hönggerberg campus, Switzerland Abstract submission deadline: 15th October 2025 Symposium Webpage: https://urldefense.us/v3/__https://indico.psi.ch/event/dataxas2026__;!!G_uC… We warmly invite your participation in this symposium and look forward to your contributions and discussions.

1 0

Re: Issue with AtomS reporting CIF file created in Diamond
by I. D. 30 Aug '25

30 Aug '25

Dear All, I am experiencing a problem with AtomS reporting a CIF file generated in Diamond. Please find the CIF file attached. Diamond correctly displays the coordination of each gallium atom in this structure (space group Pna2₁): - Ga1 has tetrahedral coordination, - Ga2 has octahedral coordination, - Ga3 has pentahedral coordination, - Ga4 has tetrahedral coordination. However, when I load the CIF file into AtomS, only Ga4 shows the correct coordination. The other three Ga atoms are all reported with coordination 6 instead of 4, 6, and 5, respectively. Could you please advise on how to resolve this issue? Thank you in advance for your help. Best regards, Iraida PS: A similar problem occurs if the *.cif file is generated by the Vesta program.

2 1

network outage to mailing list and related sites: August 25 and possibly 26
by Matt Newville 21 Aug '25

21 Aug '25

Hi Folks, The APS will be doing network maintenance and upgrades for several sectors at the APS. They have told us to expect no network access on Monday, August 25th, possibly going into the 26th. That will include the server running this mailing list (both mail delivery and web configuration) as well as all web pages at millennia.cars.aps.anl.gov and seescience.org (so, including larixite.seescience.org and xraydb.seescience.org) I do not have specific times, but guess the outage will start between 7 and 9 AM Chicago time on the 25th. I hope that we can all manage a day or two in late August without these resources ;). --Matt

1 0

Variation in pre-edge intensity with replicate scans without change in EXAFS
by Rachel Pepper 20 Aug '25

20 Aug '25

Hi everyone, I've got some XAS data at the Cr K edge for Cr-doped alumina (i.e. ruby) powder samples (Cr 0.1-1 atomic%) where we are seeing a reduction in one of the pre-edge peaks with replicate scans. There are three sets of samples; each made by a different synthetic method. We did do the repeat scans on the same spot on the samples and noted this change after the data was collected, which means that the change might be a result of beam damage. However, the results are odd because: 1. The reduction in intensity is consistent across different Cr concentrations for samples made by the same method, but is not observed for all preparation methods 2. The XAFS does not show the same systematic variation with replicate scans which suggests that this change in the pre edge is not due to a structural change 3. The edge position doesn't change with repeat scans 4. We have compositional data for these samples, and there are no significant impurities 5. I've worked up the XAFS data in Artemis and there doesn't seem to be significant differences in the structures of the samples prepared by the three different methods. For all methods, it looks like there is a second Cr atom in the second coordination shell, which is also supported by luminescence data. I've looked online and found a computational study where intensity differences in ruby samples may be related to electron spin (doi: 10.1238/Physica.Topical.115a00191, doi: 10.1039/b926499j), but I'm not sure if this is a sensible explanation - I'm still quite new to this technique. Has anyone come across anything similar, or does anyone know why we might have seen this in our samples? I've attached some images of the pre-edge and XAFS regions for the scans to illustrate what I'm asking about. Thank you, Rachel

3 3

Demeter won't start in Windows 11
by Shi, Jueli 19 Aug '25

19 Aug '25

Hi Everyone, I'm experiencing an issue with Demeter (v0.9.26) after upgrading from Windows 10 to Windows 11. On Windows 10 it worked without problems, but now it won't start properly. When I click the desktop icon (or run it from the Start menu), the window briefly appears and then crashes. I've tried rebooting, running as Administrator, and reinstalling, but the issue persists. Has anyone else run into this on Windows 11? Thanks in advances, Jueli Shi Postdoc Research Associate Pacific Northwest National Laboratory Richland, WA 99352 USA Tel: 509-375-2284 Jueli.Shi(a)pnnl.gov

2 2

Re: Help installing Demeter on a Mac
by Fowler, Joseph W. (Fed) 07 Aug '25

07 Aug '25

Dear Matt, Many thanks for opining on Mac installations of x-ray code. Much more, many thanks for building a really nice suite of useful tools for x-ray physics. (Congratulations on the new major version of Larch!) I am the official MacPorts “maintainer” of Ifeffit and the Demeter suite and have been for roughly a decade. For several years, I was able to keep the port alive, albeit barely. For roughly the last 4-5 years, I have been unsuccessful building Ifeffit under the MacPorts project; without it, Demeter can’t be used. Given that the package is unmaintained and pulled from GitHub, I will plan to work with MacPorts to remove the demeter and ifeffit packages, or mark them as permanently moribund, or whatever they favor. Perhaps that will help clarify for people that installing these tools on Macs is no longer possible in 2025. Hi Kyle, Yep, it has been well-established that trying to build and run Demeter on macOS is very hard, and the results will be fragile. If you got advice in the past 5 years that was something other than "don't bother", then I would ZjQcmQRYFpfptBannerStart Best wishes, Joe Fowler NIST Quantum Sensors Division, Boulder Colorado ZjQcmQRYFpfptBannerEnd From: Matthew Newville <matt.newville(a)gmail.com> on behalf of Matt Newville <newville(a)cars.uchicago.edu> Date: Wednesday, August 6, 2025 at 2:56 PM To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Cc: Kluherz, Tk <Tk.Kluherz(a)nrel.gov> Subject: [Ifeffit] Re: Help installing Demeter on a Mac Hi Kyle, Yep, it has been well-established that trying to build and run Demeter on macOS is very hard, and the results will be fragile. If you got advice in the past 5 years that was something other than "don't bother", then I would say you were misled. Larch installs without any trouble, and Larix runs just fine on macOS. Yep, there are a few things that Larix does not do that Demeter does, and there are many things that Larix does that Demeter does not. Larch and Larix are actively developed. If some feature is not working well for you, we have plenty of mechanisms for asking for help, getting feedback, and contributing. There have been 5 releases of Larch in the past 12 months. Most installations of Demeter use only the Fortran Ifeffit library. This has not been supported for more than 10 years. It has many known bugs that will not ever be fixed. I recently removed the repository from GitHub, as some people were still trying to use and build that code. This needs to stop. These are open-source software, written by volunteers. You are free to use any version or modification of these you want – that is one of the points of open-source software. But you cannot expect support for very old software, especially when the developers are clearly stating that it is not supported. Please stop asking about installing Demeter on macOS. It is not going to be supported. --Matt

2 1

Re: Help installing Demeter on a Mac
by Matt Newville 06 Aug '25

06 Aug '25

1 0

Re: Help installing Demeter on a Mac
by Kluherz, Tk 05 Aug '25

05 Aug '25

Following up on this much later: I think I have tracked down the initial issue, which unfortunately has only revealed other problems. Looking in /opt/local/bin, the commands appear to be links: lrwxr-xr-x 1 root admin 43 Jul 30 15:45 athena -> /opt/local/libexec/perl5.34/sitebin/dathena lrwxr-xr-x 1 root admin 44 Jul 30 15:45 artemis -> /opt/local/libexec/perl5.34/sitebin/dartemis lrwxr-xr-x 1 root admin 47 Jul 30 15:45 hephaestus -> /opt/local/libexec/perl5.34/sitebin/dhephaestus The sitebin folder does not exist in perl15.34, so this seems to be the reason why I’m getting ‘command not found’ when I try to run athena. Poking around, it seems that dathena, dartemis, and dehepaestus do exist in /opt/local/libexec/perl5.34/ But when I try to run them, I get several errors: ./dathena Can't load '/opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/auto/Ifeffit/Ifeffit.bundle' for module Ifeffit: dlopen(/opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/auto/Ifeffit/Ifeffit.bundle, 0x0001): Library not loaded: @rpath/libgfortran.5.dylib Referenced from: <39AD3897-F60B-30DA-B626-3DEF435072F2> /opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/auto/Ifeffit/Ifeffit.bundle Reason: no LC_RPATH's found at /opt/local/lib/perl5/5.34/darwin-thread-multi-2level/DynaLoader.pm line 197. at (eval 21) line 1. Compilation failed in require at (eval 21) line 1. BEGIN failed--compilation aborted at (eval 21) line 1. BEGIN failed--compilation aborted at /opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/Demeter.pm line 70. Compilation failed in require at /opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/Demeter/UI/Athena.pm line 24. BEGIN failed--compilation aborted at /opt/local/lib/perl5/vendor_perl/5.34/darwin-thread-multi-2level/Demeter/UI/Athena.pm line 24. Compilation failed in require at ./dathena line 31. BEGIN failed--compilation aborted at ./dathena line 31. It seems there are larger installation problems. This is as far as I’ve gotten, as IT was able to setup a Windows remote machine for me and install Demeter on there instead. I have not yet tried the directions Matt linked from George Sterbinsky, so those may be a working option. I’d also like to take a look at Larch sometime, but want to get these data processed before venturing into those woods. Thanks again for your help. My apologies for disappearing on this issue, EXAFS work ended up being shelved and I didn’t receive email notice of your responses so wasn’t aware of them until I went looking in the mailing list. -- Kyle Kluherz Postdoc | MCCS National Renewable Energy Laboratory (NREL) 15013 Denver West Parkway | Golden, CO 80401 303-384-7747 kkluherz(a)nrel.gov<mailto:kkluherz@nrel.gov> | https://urldefense.us/v3/__http://www.nrel.gov__;!!G_uCfscf7eWS!ayhMNEBuDrh… <https://urldefense.us/v3/__http://www.nrel.gov__;!!G_uCfscf7eWS!ayhMNEBuDrh… >

1 0

Problems with linear combination fitting S-XANES data in Athena
by Muretta, Julie 28 Jul '25

28 Jul '25

Hello, First of all, thank you all so very much for offering this platform to address XAS data processing!! It is wonderful to know it is available. I am having a problem using Athena "Linear Combination Fitting" with x-ray fluorescence data from SSRL. Last year, we collected sulfur K-edge XANES data at SSRL, beamline 4-3 and processed them using SixPack (averaging 5 sweeps and normalization) and then used Athena to conduct linear combination fitting of the XANES region. It worked great! This year's data are presenting a problem when I get to the LCF step, however. When I import the sample data .mu file into Athena and plot it by pressing the orange "E" button, the normalized spectrum looks like it should (albeit noisy and sometimes not the best data, but that is not Athena's fault). When I attempt to apply the Linear Combination Fitting algorithm, fitting a number of spectra from reference samples also collected last year and this year, Athena inverts the sample.mu spectrum (between -1 and 0 rather than 0 and 1). It does not invert old or new reference sample spectra. When I try this with old data, using old and new reference sample spectra, I do not have this problem. With the inverted sample spectrum, it often does not find a fit, but sometimes it does. Attached is an example Athena project file, the .mu file, and a plot of the output of a test fit, for your reference. I am hoping someone can please help me figure out why this is happening. I cannot see anything wrong, based on my limited experience, but hopefully it is something I have done wrong that can be easily corrected. Thank you in advance, Julie Julie Muretta, Ph.D. Materials Testing Laboratory Manager Center for Advanced Materials Processing (CAMP) (406) 496-4808 | jmuretta(a)mtech.edu [Montana Technological University]<https://urldefense.us/v3/__https://www.mtech.edu/__;!!G_uCfscf7eWS!cA8TPa7r… >

4 7

Postdoctoral position opening
by Anatoly Frenkel 18 Jun '25

18 Jun '25

We will have an opening (pending final funding approval) for a Postdoctoral Researcher in my group — the *Structure and Dynamics of Applied Nanomaterials* at Stony Brook University. We are seeking a highly motivated scientist to explore the mechanisms of novel electromechanical materials, focusing on systems that exhibit non-classical electrostriction. This research builds on our recent work: 🔹 https://urldefense.us/v3/__https://pubs.acs.org/doi/full/10.1021/jacs.5c003… 🔹 https://urldefense.us/v3/__https://www.nature.com/articles/s41467-023-43032… The successful candidate will: ✅ Lead synchrotron-based experimental efforts ✅ Study the effects of stress, electric fields, and temperature on these materials ✅ Collaborate with international teams ✅ Leverage unique access to both Stony Brook University and Brookhaven National Laboratory Required: 🔹 Proven expertise in X-ray absorption spectroscopy (XAS) 🔹 Strong publication record Note: We are considering only candidates currently in the U.S. who are authorized to work. 📩 Interested or know someone who might be? Please reach out to me at anatoly.frenkel(a)stonybrook.edu. Anatoly ------------------------------------------------------------------- Anatoly I. Frenkel Professor and Deputy Chair Department of Materials Science and Chemical Engineering Affiliate Professor, Department of Chemistry * Stony Brook University * Stony Brook, NY 11794 Email: anatoly.frenkel(a)stonybrook.edu <https://urldefense.us/v3/__https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adz… > https://urldefense.us/v3/__http://you.stonybrook.edu/frenkel__;!!G_uCfscf7e… Co-Director and Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL https://urldefense.us/v3/__http://you.stonybrook.edu/scc2__;!!G_uCfscf7eWS!… Joint Appointment: Senior Chemist Chemistry Division, *Brookhaven National Laboratory* Upton, NY 11973 Email: frenkel(a)bnl.gov https://urldefense.us/v3/__https://www.bnl.gov/staff/frenkel__;!!G_uCfscf7e… -------------------------------------------------------------------

1 0

Larch for XES processing
by Morrell, Colin T. 15 Jun '25

15 Jun '25

Hello, I am new to the technique of XES and have been working out a way to analyze some XES spectra. I have used Larch in the past for XAS analysis and found a few places that indicated that larch is also capable of processing XES data in the LarchGUI application. I have been working to install a version or find how to do this and have not been successful. Have XES support been removed from the larch applications? Any help or clarification is greatly appreciated! Thank you in advance. Sincerely, Colin Morrell PhD Candidate | See Group Division of Chemistry & Chemical Engineering California Institute of Technology

5 4

XRFMap_viewer tricolor map legend
by Tian, Tony 07 Jun '25

07 Jun '25

Good afternoon, I was able to make a tricolor map with Larch's XRFMap_viewer like below, [cid:010cee66-2afd-4b58-8065-f70e947a2810] but couldn't have a pie-shaped diagram legend like this displayed like in a lot of XRF publications. Could you give some advice on how to do it? Thank you. [cid:95e76dd6-42ad-45f2-9498-8a664a065d64] Best regards, Tony

3 2

FEFF does not generate feff.inp from cif
by 정은석 07 Jun '25

07 Jun '25

Hello~ all I opened the cif file in CIF Browser. I couldn't make feff.inp in this Browser. In a previous version, feff.inp was generated. However, it isn't now. What is the problem? I installed xraylarch in anaconda virtual system as following: (base) C:\>conda update --all (base) C:\>conda create --name xraylarch (base) C:\>conda activate xraylarch (xraylarch) C:\>conda install -c conda-forge python=3.9.10 (xraylarch) C:\>pip install torch (xraylarch) C:\>conda install -y -c conda-forge wxPython pymatgen scipy h5py matplotlib (xraylarch) C:\>conda install -y -c conda-forge openbabel tomopy (xraylarch) C:\>pip install epicsapps (xraylarch) C:\>pip install xraylarch (xraylarch) C:\>larch -m I have been using Window 10 system [image: image.png] Best regards, Eun-Suk Jeong

3 2

Question about Air sensitive sample holder
by Helen Chen 05 Jun '25

05 Jun '25

Hello, Our group (Jerry Seidler) just started a project involving doing VTC and HERFD on Yb doped CrX3 material. They are thin small crystal sheets and are very air sensitive. We have tried encapsulated them between a layer of laptop tape and film, but after 12hr we see degradation due to air leaks. I am looking for some advice on air sensitive sample holder. What are some typical methods you use to deal with air sensitivity, especially for samples in thin sheets geometry? Thank you

8 8

Influit Energy - Materials Scientist - X-ray Characterization Specialist
by Carlo Segre 03 Jun '25

03 Jun '25

Influit Energy is a dynamic and rapidly expanding company, developing energy storage solutions through cutting-edge research in battery technology, nanomaterials, and materials science. Please see the job posting at Influit Eneergy - Materials Scientist Position <https://urldefense.us/v3/__https://jobs.gusto.com/postings/influit-energy-i… > -- Carlo U. Segre, CTO Influit Energy, LLC 2312 W. Warren Blvd. Chicago, IL 60612

2 2

Larch 2025.2.0
by Matt Newville 27 May '25

27 May '25

Hi Folks, Larch 2025.2.0 has been released, with many fixes and improvements in the past few months, especially for the Larix GUI application. When running Larix, you should be prompted to run the "Update Larch" program. Some of the changes for this release include: - The Plotting section for the XAS Normalization panel has changed to give fewer "main plotting options", but then additional options for pre-edge lines, derivatives, etc. - The Plotting section for the EXAFS panel has also changed. Here, the choices for what to plot are now organized by "Space": Energy, k (including filtered or q), and R. Because there are many choices for making 2 plots at a time, the options can be saved and recalled later (including in later sessions). - There are several improvements for reading and showing non-XAS or "XY data". - There is an initial working version of a generic Curve Fitting Panel for XY and XAS data. This is similar to the Pre-edge Peak Fitting Panel, but it does not require the removal of a baseline first. - There is now an "XAS Mode" selection when importing data from plain Column Files. Currently, the choices are "Unknown", "Transmission", "Fluorescence", "HERFD", and "Calculation". The intent is to allow adjusting normalization and analysis parameters based on this Mode. Currently, only "Calculation" actually adjusts the normalization parameters. - Reading in XAS calculations from Feff (xmu.dat) or FDMNES with "Mode=Calculation" gives better pre-edge (using only the first point) and normalization. There are many more bug fixes and improvements detailed at See https://urldefense.us/v3/__https://github.com/xraypy/xraylarch/releases/tag… . There are plenty of people to thank for these fixes, but special thanks again goes to Mauro Rovezzi and Shelly Kelly. --Matt PS: We have missed a few recent Developers+Interested Users meetings. I think we should get back to having these, but maybe at a different pace. If anybody would like to discuss development or features in more detail, let me know.

1 0

Cancellation of the 19th International XAFS conference in 2025 in Chicago
by Matthew Newville 15 Apr '25

15 Apr '25

Hi All, Some of you may not have heard this yet. The International X-ray Absorption Society and the Conference organizers have canceled the XAFS19 Conference scheduled for July 14-19, 2025. From Professor Asakura, Chair of the IXAS: Dear all involved with XAFS, As you may know, the 19th International XAFS conference (XAFS 19) was scheduled to occur in Chicago from the 14th to the 19th of July 2025. After considering the many uncertainties with hosting an international conference in the US given the current political climate, the organizer of the 19-XAFS conference proposed its postponement. The IXAS EC voted on the subject and unanimously voted to cancel the 19-XAFS in Chicago in 2025. We appreciate your kind understanding. We will now call for a bid to host the conference next year, XAFS 2026, and we will decide on the new venue and communicate the decision to the community as soon as possible. Please contact the IXAS chair, Kiyotaka Asakura (kytkaskr(a)fc.ritsumei.ac.jp<mailto:kytkaskr@fc.ritsumei.ac.jp>), if you are interested in organizing the XAFS 2026. Thanks. Kiyotaka Asakura IXAS Chair Carlo Segre Chair of the 19-XAFS Also See XAFS19 homepage https://urldefense.us/v3/__https://www.icdd.com/xafs19/__;!!G_uCfscf7eWS!dg…

1 0

XAS spectra for Na2CoP2O7, Li2CoP2O7, NaCoPO4 and LiCoPO4
by Carlos Triana Estupinan 15 Apr '25

15 Apr '25

Dear Colleagues, I was curious if anyone has XAS spectra for Na2CoP2O7, Li2CoP2O7, NaCoPO4 and LiCoPO4 that you would not mind sharing. Thanks and Best Regards, -- ______________________________________ Phd. - Lic.Phil. - Msc. & Bsc. in Sciences Physics Senior Researcher, University of Zurich Department of Chemistry Winterthurerstrasse 190, CH-8057 Zurich, Switzerland Email: carlos.triana(a)chem.uzh.ch Phone: +41 44 63 54 646 Movil: +41 076 814 41 60 -- *Aviso legal:* El contenido de este mensaje y los archivos adjuntos son confidenciales y de uso exclusivo de la Universidad Nacional de Colombia. Se encuentran dirigidos sólo para el uso del destinatario al cual van enviados. La reproducción, lectura y/o copia se encuentran prohibidas a cualquier persona diferente a este y puede ser ilegal. Si usted lo ha recibido por error, infórmenos y elimínelo de su correo. Los Datos Personales serán tratados conforme a la Ley 1581 de 2012 y a nuestra Política de Datos Personales que podrá consultar en la página web https://urldefense.us/v3/__http://www.unal.edu.co__;!!G_uCfscf7eWS!eoeeN3SW… <https://urldefense.us/v3/__http://www.unal.edu.co/__;!!G_uCfscf7eWS!eoeeN3S… >.* *Las opiniones, informaciones, conclusiones y cualquier otro tipo de dato contenido en este correo electrónico, no relacionados con la actividad de la Universidad Nacional de Colombia, se entenderá como personales y de ninguna manera son avaladas por la Universidad.

2 1

A warning about feff8 vs feff6
by Joshua J. Kas 11 Apr '25

11 Apr '25

Dear ifeffit community, While doing some fitting of theoretically produced data, we noticed that there are some differences between feff6 and feff8, even when all settings are the same as far as we can tell. This was expected for some parameters such as the E0 shift, since the approximation has changed from feff6 to feff8. However, there is also a difference in the scattering amplitudes. In particular, for the Pt case that we are looking at, the nearest neighbor scattering amplitudes from feff8,9, and 10 are roughly 11/12 the size of the scattering amplitudes from feff6. This likely has something to do with a difference in the prescription to create the muffin-tin potentials, but we haven't tracked down the difference completely. In any case, as found by Bruce Ravel <https://urldefense.us/v3/__http://bruceravel.github.io/SCFtests/scf.html__;… >, differences in physical parameters between feff6 and feff8 are within errors of each other when each code is used consistently. This message is mainly meant to warn people not to mix the two codes when doing analysis. For example, an s02 extracted by fitting data with feff6 cannot be used with a feff8 analysis. -- Joshua Kas (He/Him/His) Research Assistant Professor University of Washington

1 0

CLS Introduction to X-ray absorption spectroscopy and microprobe Worksop
by Amani Ebrahim 10 Apr '25

10 Apr '25

Dear Ifeffit community, The CLS is organizing a 2-day workshop/ summer school for new commers to XAS, with a specific focus on topics such as food, soil and environmental science (see following link<https://urldefense.us/v3/__https://event.fourwaves.com/cls-xas-workshop/pag… >). Please help disseminate amongst your network. Deadline to apply is May 15. For details on the workshop, please visit: Intro to XAS and microprobe workshop<https://urldefense.us/v3/__https://event.fourwaves.com/cls-xas-workshop/pag… > Thank you from the workshop organizers ----------------------------------------------- Amani M. Ebrahim, PhD (She/Her) Associate Scientist | Canadian Light Source Ph: 306-657-3659 | C: 306-227-7228 https://urldefense.us/v3/__https://bioxas-spectroscopy.lightsource.ca/__;!!… lightsource.ca<https://urldefense.us/v3/__https://www.lightsource.ca/__;!!G_uCfscf7eWS!c8d… > | @canlightsource [AE4A24CF] [5A8E16B5][12A76F8B][601FFCD1][8CA6807][EDA296AD][CF6D0A43] We acknowledge we are on Treaty Six territory and the traditional homeland of the Métis. We pay our respects to the First Nations and Métis ancestors of this place and reaffirm our relationship with one another.

1 0

Delete me
by Richard Brand 01 Apr '25

01 Apr '25

Von meinem iPad gesendet New iPhone +49 159 06238965 New eMail brand.richard(a)web.de

1 0

XAFS19 Abstract Submissions open
by Carlo Segre 17 Mar '25

17 Mar '25

Hello All, The abstract submission page on the XAFS19 Conference web site will be open later this afternoon. You will be able to request a poster or oral presentation. The Program Committee will make the final decisions on which format your work will be presented. For those of you who need an invitation letter for a Visa, please email xafsconference2025(a)gmail.com to request one with your abstract number. For the XAFS19<https://urldefense.us/v3/__https://www.icdd.com/xafs19/__;!!G_uCfscf7eWS!Zj… > organizing committee, Carlo -- Carlo Segre, Duchossois Professor of Physics Illinois Institute of Technology

1 0