March 2026 - Ifeffit - millenia.cars.aps.anl.gov

Problems with Cu Foil with Artemis
by tiankongbuyi 24 Mar '26

24 Mar '26

I conducted Cu foil fitting with Artemis. While all fitting parameters and graphical outputs appeared correct, the resulting S02 value was abnormally low (~0.2) compared to the expected 0.7-1 range. What modifications would resolve this discrepancy? I'd be grateful for any insights that could help address this problem .

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Larch 2026.1.2
by Matthew Newville 11 Mar '26

11 Mar '26

Hi Folks, Larch 2026.1.2 is now available and will begin to appear for automatic updates. A more complete list of changes is at https://urldefense.us/v3/__https://github.com/xraypy/xraylarch/releases/tag… . Highlights include: * There are several improvements and bug fixes to Larix and the Larch library from several contributors. Thanks to all those who reported and provided patches. * The binary and “GetLarch” installers have been updated and should resolve problems seen with installation on MacOS. * Support for “Dark Mode” on Windows and MacOS for Larix and the other GUIs is much improved. These will automatically adjust when the System Dark/Light mode changes. Unreadable dark text on dark backgrounds (or light text on light backgrounds) should be resolved. Please let us know if we have missed any such cases. I will say that for those using the GUIs on Linux desktops: we know that there are several problems (including “buttons are too large”) and will admit we have done essentially no testing of Dark Mode on desktop Linux. If anyone has feedback on using Larix on Linux desktops, please let us know. For those with a recent installation of Xray Larch that includes the shortcut to Jupyter Lab in the Larch desktop folder: you can update by launching Jupyter Lab, opening the “Terminal” from the “Launcher” window, and running pip install --upgrade xraylarch —Matt

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Issues opening Larch folder on a Mac
by odeluca＠barnard.edu 07 Mar '26

07 Mar '26

I used the Binary Installer File for Larch on my Mac and am running into issues launching Larch GUI. I ran the installer, and I have an xraylarch folder on my computer (which contains all the relevant code). However, I do not have a Larch folder that would contain the XAS Viewer (among other things). I opened a Terminal and typed ~/xraylarch/bin/larch -m to launch, but was met with the error "zsh: no such file or directory..." What should my next troubleshooting steps be? Should I try to uninstall and re-install? Best, Olivia

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Job Opening: Research Associate at Brookhaven National Laboratory, Upton NY USA (JR102274)
by atayal＠bnl.gov 06 Mar '26

06 Mar '26

Dear Colleagues, Brookhaven National Laboratory is seeking a Research Associate (JR102274) to develop machine learning methods for autonomous EXAFS analysis. This position will be of particular interest to those working in EXAFS/XAS data analysis, synchrotron-based spectroscopy, and the development of AI/ML approaches for advanced spectroscopy workflows. Details are available here: https://bnl.wd1.myworkdayjobs.com/en-US/Externa/details/Research-Associate_… Please feel free to share with anyone who may be interested. Thanks, Akhil Tayal atayal(a)bnl.gov

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Load chi.dat generated by FEFF8 directly into Larix?
by Bone, Sharon 06 Mar '26

06 Mar '26

Dear all, I am trying to fit a theoretical EXAFS spectrum (chi.dat) that was generated via FEFF8 from multiple snapshots from an AIMD trajectory. I can import the chi data into Athena, and from there into Artemis where I can fit it using the standard shell-by-shell routine. However, I cannot import the chi data into Larix and fit it in the FEFF fitting panel. I was able to load the file as XY data and (via the Larch buffer) assign k and chi so that Larix recognizes it in the EXAFS panel. I was also able to generate the Fourier transform (via the Larch buffer), but got no further. So my question is this: Is it possible to fit theoretical chi spectra generated by FEFF8 in Larix? It seems like it is necessary to use Larch directly? Are there any work arounds? Thanks, Sharon

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