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

Demeter - Athena Warning, crashing
by Alida Perez Fodich 01 Aug '18

01 Aug '18

Hello, I'm new to Athena and after following the steps to install Demeter on my mac when I run the command to launch Athena I get a warning message with the following error: 10:57:05: Name "Demeter::Templates::PT" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. 10:57:05: Name "Demeter::Templates::S" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. 10:57:05: Name "Demeter::Templates::D" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. 10:57:05: Name "Demeter::Templates::T" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. 10:57:05: Name "Demeter::Templates::F" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. 10:57:05: Name "Demeter::Templates::DS" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, <DATA> line 236. After this, the only option is to press ok and the program crashes. I have updated to latest version of high Sierra (10.13.6) before installing Xcode (9.4.1) and MacPorts (2.5.3). I also tried some of the quick fixes on Athena documentation but it seems to be a different problem. Does anyone have an idea of what could be wrong? Alida.

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Demeter Installation Mac server error
by Laurane Léost 27 Jul '18

27 Jul '18

Dear all, I would like to install Demeter on Mac device. I followed all the instructions with "Installing Demeter on the Mac" in the website. But in the terminal window, when i write : "sudo port install xorg-server demeter", this message appears : "Error: Port xorg-server not found". Did someone had already receive this type of message? Or know a way to install the program. Thanks for your help. -- Laurane Léost

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ZrO2 and HfO2 EXAFS spectra
by Martin McBriarty 23 Jul '18

23 Jul '18

Friends in XAFS, Do you have any EXAFS spectra of single-phase ZrO2 or HfO2 that you'd be willing to share? In particular, I'm looking for the monoclinic (P21/c), tetragonal (P42/nmc), and orthorhombic (Pbca and Pca21) phases of each material. Bulk, interface-stabilized, pure, or lightly doped is fine. I'd prefer mu(E) spectra, but chi(k) would work as well. Thank you for any help or recommendations! Martin Martin E. McBriarty, Ph.D. Scientist III, Intermolecular Inc. San Jose, CA

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Re: [Ifeffit] Fe Standards (Naomi Intrator)
by Denis Testemale 23 Jul '18

23 Jul '18

I'm not sure my previous message went through (I think I screwed up the mailing list adress). So here we go again. Dear Naomi, I attach 2 files with the normalized spectra of Fe2+ (50mmol dissolved FeCl2 in 0.5M HCl) and Fe3+ (??mmol dissolved Fe2(SO4)3 in 2M H2SO4) in solution. In both cases iron is octahedrally coordinated to water molecules. The spectra come from 2 different experimental runs, but the calibration of the beamline was done consistently (Fe metallic foil, 1st maximum of the derivative set at 7112eV). Unfortunately the Fe3+ spectrum is only XANES. If you need EXAFS let me know, I might find something if I dig hard in my hard disk. Cheers denis Date: Tue, 10 Jul 2018 21:23:34 +0000 From: Naomi Intrator<naomii(a)princeton.edu> To:"ifeffit(a)millenia.cars.aps.anl.gov" <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] Fe Standards Message-ID: <A986AA38C24BCD4E9BAAC1237600734D0E517089@csgmbx217w> Content-Type: text/plain; charset="iso-8859-1" Hi all, I'm doing a project on Fe and was wondering if anyone has spectra of Fe(II) and/or Fe(III) standards they wouldn't mind sharing. I'm specifically looking for XANES of Fe2+ and Fe3+ ions in water. Thanks in advance, Naomi -- Institut Néel - CNRS http://neel.cnrs.fr/spip.php?rubrique264 +33 476 881 045

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Re: [Ifeffit] XANES from FEFF9
by manju rao 18 Jul '18

18 Jul '18

Hi Matt As I am new to FEFF, I was estimating SO2 to be equal to 1 for XANES. But I don't know if it was good to have such guess or not. By changing Exchange card from 0 0 0 0 to 0 0 0 2, I am getting a noticeable change in absorption edge. The edge showed a little shift to higher energy and also slight fall in amplitude of edge. These changes are not ignorable. So I am confused about what approach to follow. Manju Sent from my iPhone

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set restrain
by Dien.Li＠srnl.doe.gov 17 Jul '18

17 Jul '18

Hi, all I wonder if anyone can suggest me on how to set up restrain of a parameter in GDS, for example, to restrain ss in a certain range or no negative. Thank you so much. Dien Li

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XAFS hands-on course at DESY
by Edmund Welter 17 Jul '18

17 Jul '18

Dear colleagues, we are organising a XAFS hands-on course at DESY this year. The date is 3rd - 7th of September 2018. More information can be found on the attached flyer and on our workshop webpage: https://indico.desy.de/indico/event/21097/overview In case of questions, please do not hesitate to contact us via e-mail. xafs-course(a)desy.de Best regards, Wolfgang Caliebe, Edmund Welter

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micro-XAS Imaging Post-Doc Position
by Ritimukta Sarangi 16 Jul '18

16 Jul '18

Hello, Apologies for the spam email. We have a 3-year position available for micro-XAS imaging for biological applications at SSRL, SLAC, Menlo Park, CA. The details of the position are attached. Please contact me directly if you or anyone you know might be interested. Best Wishes, Riti Sarangi SSRL, SLAC

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XANES from FEFF9
by manju rao 13 Jul '18

13 Jul '18

Hi. I am trying XANES simulation in FEFF9. My system of calculation is SrZnO2 and I am simulating Sr K edge. I noticed that on changing SO2 card from 0.0 to 1.0, there is change in position as well as profile of absorption edge. Also, by selecting or deselecting EXCHANGE card, some changes are also there. So, which approach is to be followed to obtain trust-able spectra? Please help. Manju Research Scholar Department of Physics Punjabi University, Patiala- 147 002 Punjab, India.

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Importing 100 element Ge data into Larch
by Macon Abernathy 13 Jul '18

13 Jul '18

Hey all, Has anyone had success loading data from larger pixel arrays into Larch? I have data collected on a 100 element Ge detector that results in Athena crashing upon import (running on Mac OS 10.13.4, Demeter v9.25). I figure this is a good task for Larch, but am having a difficult time figuring out how to import all 100 channels for each data set simultaneously. Thanks in advance for any tips, Cheers, Macon J. Abernathy Ph.D Student-Ying Biogeochemistry Lab Environmental Toxicology Program College of Natural and Agricultural Sciences University of California, Riverside maber001(a)ucr.edu

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