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

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