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

Demeter installation macOS Mojave pgplot Build Fail
by Reddy, Aidan 09 Jul '19

09 Jul '19

Hi, I am trying to install Demeter on my mac and am encountering the following error during installation: ---> Building pgplot Error: Failed to build pgplot: command execution failed Error: See /opt/local/var/macports/logs/_opt_local_var_macports_sources_rsync.macports.org_macports_release_tarballs_ports_graphics_pgplot/pgplot/main.log for details. Error: Follow https://guide.macports.org/#project.tickets to report a bug. Error: Processing of port demeter failed Any suggestions to resolve this issue? Thanks, Aidan Reddy

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How to install Demeter on ubuntu 18.04
by William Del Net 08 Jul '19

08 Jul '19

Dear people I tried to install demeter on computer with ubuntu 18.04. I ve found the Deavd Hughes guide to demeter installation on Ubuntu 12.04 There are some differencies and I tried to follow everything. Well, everything seem to be installed, but when I run dathena, i have the following error message opd30@joconde:~/demeter$ ./bin/dathena Can't locate Demeter/Here.pm in @INC (you may need to install the Demeter::Here module) (@INC contains: /home/opd30/perl5/lib/perl5/5.26.1/x86_64-linux-gnu-thread-multi /home/opd30/perl5/lib/perl5/5.26.1 /home/opd30/perl5/lib/perl5/x86_64- linux-gnu-thread-multi /home/opd30/perl5/lib/perl5 /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.26.1 /usr/local/share/perl/5.26.1 /usr/lib/x86_64-linux-gnu/perl5/5.26 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl/5.26 /usr/share/perl/5.26 /home/opd30/perl5/lib/perl5/5.26.0 /home/opd30/perl5/lib/perl5/5.26.0/x86_64-linux-gnu-thread-multi /usr/local/lib/site_perl /usr/lib/x86_64-linux-gnu/perl-base) at ./bin/dathena line 7. BEGIN failed--compilation aborted at ./bin/dathena line 7. Here.pm is located in~/demeter/lib/Demeter. And yes, it's not in @INC. My home directory is /home/opd30 Do you have a solution, or a guide to install properly demeter on Ubuntu 18.04 Thanks a lot william -- > DEL NET William ESRF CRG-FAME 71 avenue des Martyrs F-38043 GRENOBLE CEDEX 9 tel: +33 4 76 88 25 46 fax: +33 4 76 88 27 43

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Inversion Degree
by Carlos Triana Estupinan 06 Jul '19

06 Jul '19

Dear All Dear I have EXAFS spectra for spinel Co3O4, and I have to determine the inversion degree X, or the cation distribution of Co at the octaedral and tetraedrical sites. The EXAFS fitting can be performed employing two clusters of atoms, one having the absorbing atom in tetrahedral site and one having the absorbing atom in octahedral site. However, I do not know how to exactly determine the fraction of cations in octahedral or tetraedral sites from fitting the spectra with two sites independently. Could you please tell me how exactly should I proced, can I define a EXAFS fitting parameter giving me the cation distribution of Co at the octaedral and tetraedrical sites. If so, how can I do it. Thanks and best regards, -- *Carlos Augusto Triana Estupiñan* * M.Sc. Sciences - **Physics* *Physicist* * Tel: +57 322 256-2309*

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Postdoctoral position is available
by Anatoly Frenkel 03 Jul '19

03 Jul '19

Dear mailing list subscribers, There is an opening for a postdoctoral research associate position, described briefly below (for more details please contact me). A postdoc will investigate novel electromechanical materials using NSLS-II beamline facilities at Brookhaven National Laboratory, with primary technique being X-ray absorption fine structure. This position will be in Stony Brook University (located in close proximity to Brookhaven), under the supervision of Prof. Anatoly Frenkel. Responsibilities will include setting up new in situ operations for testing novel materials under applied electric field, developing and applying fast timing methods (such as modulation excitation spectroscopy), and collaborating with other participants of the NSF-BSF funded US-Israel collaboration. Annual trips to Israel for collaborative research will be required. Ph.D. in Physics, Chemistry or Materials Science, and strong knowledge of XAFS experiment, data analysis and modeling, documented in publications, are required. Three names of professional references are required with the applications that should include a cover letter describing relevant prior experience and interest in the position, and a CV with a list of publications. These materials should be emailed to anatoly.frenkel(a)stonybrook.edu with a subject line: XAFS postdoc position. ------------------------------------------------------------------- Anatoly I. Frenkel Professor Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 Email: anatoly.frenkel(a)stonybrook.edu <https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adziN6IvpdRQ-rWdgy3Oaoif_x-0yb…> http://you.stonybrook.edu/frenkel Joint Appointment: Chemistry Department, Brookhaven National Laboratory Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494 Email: frenkel(a)bnl.gov https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL http://you.stonybrook.edu/scc2 -------------------------------------------------------------------

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EXAFS from FEFF9 in ARTEMIS (ver 0.9.26)
by Manju 21 Jun '19

21 Jun '19

Hi I am analyzing my data in ARTEMIS (ver 0.9.26). I used the Rietveld refined parameters of XRD data into ATOMS interface and used that for path calculation. But the paths were not at same distances as indicated by .CIF file (in Vesta). I am having FEFF9 with me. So, I want to run EXAFS in FEFF9 and import the paths in ARTEMIS for fitting. Is it possible? Manju Junior Research Fellow Department of Basic and Applied Sciences Punjabi University, Patiala- 147 002 Punjab, India.

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Multiple species with Artemis
by Mukundan, Vineetha 17 Jun '19

17 Jun '19

Hi All, A couple of questions. I was searching the previous threads to check if someone here had posted/explained an example with mixing parameters to find the % content of different constituents present in a sample with Artemis. This is for shell-by-shell fitting. Can Artemis fit multiple chemical species/phases to the experimental spectra simultaneously? OR fit the samples spectra measured at 2 different edges with one or two phase simultaneously? Don't know if I searched far enough. Apology if it has been discussed. In that case, could anyone please direct me to those threads. Thanks you, Vineetha

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Re: [Ifeffit] Ifeffit Digest, Vol 196, Issue 1
by Mahima Makkar 17 Jun '19

17 Jun '19

Dear Sir, This mail is regarding the quotation that you have sent. Please change the address to Prof. Ranjani Viswanatha ICMS JNCASR, Jakkur PO 560064 Bangalore, INDIA. Mail id: rv(a)jncasr.ac.in Please refer the mail id as mentioned above and resend the quotation. Thanks and regards, Mahima On Thu, Jun 13, 2019 at 10:30 PM <ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > 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. Problem with Demeter installation on mac OS Mojave (Ga?lle Creff) > 2. Re: Problem with Demeter installation on mac OS Mojave > (Ravel, Bruce) > 3. Re: Problem with Demeter installation on mac OS Mojave > (Ga?lle Creff) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 12 Jun 2019 22:52:54 +0200 > From: Ga?lle Creff <gaelle.creff(a)unice.fr> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] Problem with Demeter installation on mac OS Mojave > Message-ID: <D0FD0963-0C63-4B93-9E99-E56654370D21(a)unice.fr> > Content-Type: text/plain; charset="utf-8" > > Hi everyone, > I have some troubles with the installation of Demeter on my mac (under OS > Mojave since this week end). > Athena crashed after the following message: > "21:48:34: Name "Demeter::Templates::T" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > 21:48:34: Name "Demeter::Templates::F" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::DS" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::PT" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::S" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::D" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. ? > > Artemis does not work either. > > Can someone help me? > > Thanks a lot. > Ga?lle > >

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Problem with Demeter installation on mac OS Mojave
by Gaëlle Creff 13 Jun '19

13 Jun '19

Hi everyone, I have some troubles with the installation of Demeter on my mac (under OS Mojave since this week end). Athena crashed after the following message: "21:48:34: Name "Demeter::Templates::T" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::F" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::DS" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::PT" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::S" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::D" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. » Artemis does not work either. Can someone help me? Thanks a lot. Gaëlle

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Athena labels
by Stoll, Andreas (IAM) 24 May '19

24 May '19

Hi, Is it possible to change the x- and y-axes labels in the athena plots (energy against normalized xµE)? Greetings Andi

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Postdoctoral position at SSRL in XAS of catalysts
by Bare, Simon R 20 May '19

20 May '19

There is an opening for a postdoctoral research associate positon in the fall of 2019 at Stanford Synchrotron Radiation Lightsource (SSRL) at SLAC National Lab. This postdoctoral position will involve using in-situ/in-operando synchrotron-based methods, primarily X-ray absorption spectroscopy (XAS), to study all aspects of catalysis. The focus of the project will be in developing advanced methods in data processing, data analysis and data modeling. The candidate will join a group at SSRL, under the guidance of Dr. Simon Bare, though the Consortium for Operando and Advanced Catalyst Characterization via Electronic Spectroscopy and Structure (Co-ACCESS); https://www-ssrl.slac.stanford.edu/content/science/chemistry-catalysis. Full details at: https://careers.slac.stanford.edu/sites/careers.slac.stanford.edu/files/Pos… Please send a letter with CV and list of publications, and names of two references, to the address below: Simon R Bare, email: simon.bare(a)slac.stanford.edu<mailto:simon.bare@slac.stanford.edu>

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