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

Re: atoms.inp
by Bruce Ravel 05 May '06

05 May '06

On Friday 05 May 2006 09:19, you wrote: > Dear Bruce > I try to write the Atoms.inp file of a apatite which has been > published by suetsugu. the space group is P6 bar (please find the > publication attached [Journal of Solid State Chemistry 155, 292 } 297 > (2000)]). How can i write this space group in the atoms.inp file? > Thanks in advance > Take care Hi Dominique, This should work: space = p -6 HTH, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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Re: problems with artemis help
by Bruce Ravel 04 May '06

04 May '06

On Thursday 04 May 2006 09:32, M Ceolin wrote: > Hi Bruce. > > I am a user of the ifeffit. I use the programs running under Windows 2000 > and I experienced problems trying to use any of the help buttons associated > to artemis. The echo I received was > > ------------------------------------------------------------------ > Tk::Error: image "fileopen16" doesn´t exist at /PerlApp/Tk.pm line 228. > Tk callback for image8 > [\&main::__ANON__] > (menu invoke) > main::__ANON__(´Tk::Error: image "fileopen16" doesn´t exist at > /PerlApp /Tk.pm l...´) called at blib\lib\Tk.pm (autosplit into > blib\lib\auto\Tk\Error.al ) line 402 > Tk::Error(´MainWindow=HASH(0x21471c30)´, ´image "fileopen16" > doesn\´t ex ist at /PerlApp/Tk.pm line 228.^J´, ´Tk callback for image8´, > ´[\&main::__ANON__ ]´, ´(menu invoke)´) called at /PerlApp/Tk.pm line 340 > eval {...} called at /PerlApp/Tk.pm line 340 > Tk::MainLoop() called at artemis line 2107 > ------------------------------------------------------------ > > Is it possible to fix the problem ?. Hi Marcelo, I am aware of this problem and intend to fix it in the next release. This: http://cars9.uchicago.edu/~ravel/software/doc/Athena/athena.html and the pages it links to are generated from the help pages built into the program, and so have the same content. Here is the same content as an ugly, all-in-one PDF file: http://cars9.uchicago.edu/~ravel/software/doc/Athena/athena.pdf Unfortunately, the way I currently build executables for windows to make it easy to install and update on windows also precludes simple, user-servicable fixes for problems like this one. That means that when a problem like this crops up, everyone ha to wait for me to find the time to make a new release. Hopefully, the next one will be in the next couple of weeks. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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odd behaviour in the lDOS of GeO2
by Andreas Schacht 03 May '06

03 May '06

Dear helper team, i was trying to calculate the XANES spectra for alpha-quartz GeO2. The principle problem seems to be, that the fermi energy in the lDOS-calculations seems to be completetly wrong. If i look at the xanes-spectra with this fermi-energy the spectra does not fit with any experiment. In my opinion the fermi level should be shifted approximately by -18ev or so. If I try to fix the problem by simply adding an exchange energy in the feff.inp that does not give any better results so it would be very helpfull if someone can help me, perhaps having the same problems with totally wrong fermi-levels. additionally I give you my feff.inp file for the GeO2. And of course the atoms list consists of about 160 atoms but I omit them here. Thanks for any help * This feff8 input file was generated by WebAtoms 1.8 (Atoms 3.0beta10) * Atoms written by and copyright (c) Bruce Ravel, 1998-2001 TITLE GeO2 alpha * This feff8 input file was generated by WebAtoms 1.8 (Atoms 3.0beta10) * Atoms written by and copyright (c) Bruce Ravel, 1998-2001 TITLE GeO2 alpha * Ge K edge energy = 11103.0 eV EDGE K S02 1.0 * pot xsph fms paths genfmt ff2chi CONTROL 1 1 1 1 1 1 PRINT 1 0 0 0 0 0 *** ixc=0 means to use Hedin-Lundqvist * ixc [ Vr Vi ] EXCHANGE 0 *** Radius of small cluster for *** self-consistency calculation *** A sphere including 2 shells is *** a good choice *** l_scf = 0 for a solid, 1 for a molecule * r_scf [ l_scf n_scf ca ] SCF 5.0 *** Upper limit of XANES calculation. *** This *must* be uncommented to *** make Feff calculate full multiple *** scattering rather than a path expansion * kmax [ delta_k delta_e ] XANES 4.0 *** Radius of cluster for Full Multiple *** Scattering calculation *** l_fms = 0 for a solid, 1 for a molecule * r_fms l_fms FMS 8.0 0 *** Energy grid over which to calculate *** DOS functions * emin emax eimag LDOS -30 20 0.1 *** for EXAFS: RMAX 8.0 and uncomment *** the EXAFS card RPATH 0.1 *EXAFS 20 POTENTIALS * ipot Z element l_scmt l_fms stoichiometry 0 32 Ge 2 2 0.001 1 32 Ge 2 2 3 2 8 O 1 1 6 ATOMS * this list contains 163 atoms * x y z ipot tag distance 0.00000 0.00000 0.00000 0 Ge1 0.00000 0 1.53968 -0.61764 0.51379 2 O1 1.73668 1 0.23495 1.64222 -0.51379 2 O1 1.73668 2 -1.06503 -0.14213 1.37021 2 O1 1.74125 3 ...

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RE: [Ifeffit] regarding Lytle detector
by Barton, David (DG) 01 May '06

01 May '06

Soma, I believe the person that they were referring to was John Kulpin who was employed at DND-CAT. He left APS and Argonne a couple of years ago and I don't know where he is at now. Dave Barton > -----Original Message----- > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov > [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf > Of soma(a)agni.phys.iit.edu > Sent: Monday, May 01, 2006 11:03 AM > To: XAFS Analysis using Ifeffit > Subject: [Ifeffit] regarding Lytle detector > > > > Hi MAtt > > Carlo told me to ask you about this one: > > Is there somebody in APS who has been trained by Farrel > Lytle's company to repair Lytle detectors for APS beamlines? > Jeff Terry said that Lytle did train somebody but we do not > know the person's name. > > IF you know the name of this person, could you please drop me > a line so that we can contact him regarding repair of few of > our lytle detectors? > > Thanks a lot > Soma > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >

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RE: [Ifeffit] regarding Lytle detector
by Kelly, Shelly D. 01 May '06

01 May '06

I don't know... SK > -----Original Message----- > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit- > bounces(a)millenia.cars.aps.anl.gov] On Behalf Of soma(a)agni.phys.iit.edu > Sent: Monday, May 01, 2006 10:03 AM > To: XAFS Analysis using Ifeffit > Subject: [Ifeffit] regarding Lytle detector > > > Hi MAtt > > Carlo told me to ask you about this one: > > Is there somebody in APS who has been trained by Farrel Lytle's company to > repair Lytle detectors for APS beamlines? Jeff Terry said that Lytle did > train somebody but we do not know the person's name. > > IF you know the name of this person, could you please drop me a line so > that we can contact him regarding repair of few of our lytle detectors? > > Thanks a lot > Soma > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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XAFS Summer School at APS
by Matt Newville 01 May '06

01 May '06

Hi Folks, There will be an XAFS Summer School at the Advanced Photon Source, Argonne July 26 to July 28, 2006. The school this year will be a little different from the XAFS Schools held over the past few years at the APS and NSLS. This year, we will cover "advanced analysis". The school will be 3 days, there will be no beam time involved, and students will be expected to be familiar with XAFS and data processing (at approximately the level of using Athena). Instructors will include Bruce Ravel, Scott Calvin, Shelly Kelly, and myself. For more details, and to apply for this years XAFS summer school, see http://cars.uchicago.edu/xafs_school/ The application deadline is June 1st. --Matt

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FEFF8
by Ivana Radisavljevic 26 Apr '06

26 Apr '06

Dear Mr. Ravel, I have read in one of the papers of the authors A.I. Lebedev and I.A. Sluchinskaya that Pb scattering form factors in FEFF6 were not precisely determined. As I am dealing with the similar systems, Pb1-xMnxTe(In, Ga) to be precise, could You please tell me if this is also true for the FEFF8 version (if it is true et all)? Another thing that bothers me is that all of the real part Furier transformed EXAFS spectra taken at the tellurium K edge, appear to have the first peak divided. Since there is no direct indication of the sub-shells' existence and having in mind the similar tellurium feature noticed in Your paper "Combined EXAFS and first-principles theory study of Pb1-xGexTe", I am wondering what this feature should represent? I thank You very much in advance, Ivana Radisavljevic Vinca Institute for Nuclear Sciences, Lab 011 P.O. Box. 522, 11001 Belgrade, Serbia and Montenegro Tel. +381 11 2458222/434 Fax. +381 11 3440100 E-mail: iva(a)vin.bg.ac.yu

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(no subject)
by tony vitova 25 Apr '06

25 Apr '06

Hi, I just started to do EXAFS analysis with Artemis and I am not sure if my fit is sufficiently good. It is an attempt to fit the first shell: the first two peaks of LiNbO3 (Nb absorber). Could somebody have a fast look at my Artemis project? I wanted to fix the amplitude and to vary the coordination numbers, thus the places of "N" and "SO2" are changed. Is there another way to do this? Thanks a lot! Tonya --------------------------------- How low will we go? Check out Yahoo! Messengers low PC-to-Phone call rates.

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RE: [Ifeffit] dk setting in Athena
by Kelly, Shelly D. 24 Apr '06

24 Apr '06

Hi Geoff, I don't think that I understand your definition of dk, so I am going to give you mine. A Fourier transform is a complex transformation that requires the data that is being transformed to be defined from -infinity to +infinity. Since our data does not cover this range, we pad the data set with zeros for most of the transformed data range. At the edges in between the actual data range and all the zeros there is a step function, as the data goes from zero to some non-zero number abruptly. A Fourier transform (FT) of a step function is a bunch of signals at all R-values called a FT ripple. This is not a good think to have in your FT. So we spread out the step function by applying a window. The length of the window is defined by dk. In general dk should not be zero. See this presentation for some more discussion of dk. http://www.mesg.anl.gov/Presentations/basics%20of%20exafs%20analysis%202 003.pdf HTH Shelly > -----Original Message----- > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit- > bounces(a)millenia.cars.aps.anl.gov] On Behalf Of Geoff Eldridge > Sent: Monday, April 24, 2006 10:29 AM > To: Ifeffit List > Subject: [Ifeffit] dk setting in Athena > > Hello everyone, > > I've just started doing EXAFS in my research and I have found all your > posts to be very helpful. > > My question is about the dk setting in Athena. I know from earlier > reading that dk affects where the window for the FT is set in k-space > (i.e. a dk setting of one moves the window out further than the k-min > and k-max settings). I believe the purpose of this is to prevent > cutting the tops of peaks out of the FT window. If this is the case, > would a dk setting of 0 then be appropriate provided no parts of peaks > are clipped as shown in a k-space plot with the window shown? > > Thanks, > > Geoff > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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dk setting in Athena
by Geoff Eldridge 24 Apr '06

24 Apr '06

Hello everyone, I've just started doing EXAFS in my research and I have found all your posts to be very helpful. My question is about the dk setting in Athena. I know from earlier reading that dk affects where the window for the FT is set in k-space (i.e. a dk setting of one moves the window out further than the k-min and k-max settings). I believe the purpose of this is to prevent cutting the tops of peaks out of the FT window. If this is the case, would a dk setting of 0 then be appropriate provided no parts of peaks are clipped as shown in a k-space plot with the window shown? Thanks, Geoff

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Artemis- Loading up error
by Zohair Hussain 17 Apr '06

17 Apr '06

Hi! I recently had to install ifeffit software package on our network computer. The first time I ran Artemis I was asked to update which I did. However, Artemis did not start after that. The error message that I got is shown in the attached figures artemis-error1a and 1b. Please note that only Artemis doesn't work, all the other softwares (Athena, Hephaestus, TKAtoms etc.) work fine. I tried running the .bat file from the Ifeffit folder but that didn't work either. I also tried to run the artemis.exe file and received the error shown in figure "artemis-error2". Later I unisntalled and re-installed Ifeffit and chose not to do the updates and Artemis is now running fine. I was wondering if anyone has any idea why this is so or if there is a way around installing the updates and still being able to use Artemis??? Thanks, Zohair

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problem compiling ifeffit 1.2.8
by Igor Vasconcelos 12 Apr '06

12 Apr '06

Dear all, I came across the following error when trying to compile ifeffit-1.2.8 (uprading from version 1.2.6) in my Linux FC4 box: ifort -g -c ifftest1.f fortcom: Error: ifftest1.f, line 202: A RETURN statement is invalid in the main program. return -------^ compilation aborted for ifftest1.f (code 1) make[3]: *** [ifftest1.o] Error 1 Does anyone know what the problem might be? Thanks, Igor _________________________________________________________________ Dont just search. Find. Check out the new MSN Search! http://search.msn.click-url.com/go/onm00200636ave/direct/01/

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Log-ratio method
by lisandro＠fisica.unlp.edu.ar 11 Apr '06

11 Apr '06

Hi, I recently realized that Athena implement the ratio method as an analysis tool. I have look in the ifeffit web page and Athena manual and can not find any manual or user guide. Does anyone know any kind of instructive or manual for this type of analysis with Athena? Thanks Lisandro Giovanetti

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Ifeffit files
by Matt Newville 11 Apr '06

11 Apr '06

Hi Todd, Todd Luxton wrote (and the mail somehow got bounced): > > I am new to the use of the Ifettit, but I am currently trying to model XAFS > data for arsenate adsorbed onto a ruthenium oxide. If anyone has any ideas > on how to construct the problem, or could recommend a good source to review > I would be very grateful. Additionally, if anyone could recommend a decent > text on analyzing XAS data I would greatly appreciate it. > > > Thanks > > Todd Luxton I think the best bet is to go through the tutorials and examples from the workshops at http://cars.uchicago.edu/xafs/workshops.html Hopefully others will have more to say.... --Matt

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Re: my problem
by Matt Newville 11 Apr '06

11 Apr '06

Hi Stefano, On 4/8/06, Stefano Ciurli <stefano.ciurli(a)unibo.it> wrote: > OK. Now the latest horae061 package works. Artemis works. The only > "strange" thing is that when I expand the 061 disk image, I get 060 > as the label. Maybe it is meaningless, but anyway. Glad to hear it finally worked!! My guess is that a leftover Receipt was preventing the installation of some of the components. Does that seem right to you? If not, can you give us an idea of what might have been the problem before (for example, was there stale stuff left under /usr/local/)? I will add the notes I sent you (also below) to the Mac section of the Wiki: http://cars9.uchicago.edu/iffwiki/IfeffitOnMacintosh If you (or Paul, or anyone else) find errors in this, or would like to add information to the wiki, please do!! --Matt PS: for the record, a more complete transaction of off-line email: > > > >I'd recommend deleting (or moving to somewhere else) all of > >/Applications/Ifeffit and > >/Library/Perl (not /System/Library/Perl!! and note that this is > >assuming that you are using perl only for horae -- more below). You > >should also delete/move the 'Ifeffit installation receipts': In > >/Library/Receipts/Ifeffit-*. > > > >Then look in /usr/local/bin and /usr/local/lib (which depending on > >your system may have many things or very few things in them) for > >anything with the name "pgplot" -- delete/move these. > > > >Then install Ifeffit using the Installer. > > OK. Now the latest horae061 package works. Artemis works. ....

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Re: [Ifeffit] New release (061) of my codes -- Macintosh 10.4 binary installer
by Matt Newville 07 Apr '06

07 Apr '06

Stefano, You don't need a a file named libpglot.a. The application ifeffit statically includes the pgplot library. If you were to build a new Ifeffit application (including building the base perl module, which horae's build does), it would look in the file /Applications/Ifeffit/share/ifeffit/config/Config.mak and see that it should build with 'libpgplot_iff.a' in the directory '/Applications/Ifeffit/pgplot'. And it should work. The result you sent from otool definitely makes it look like your installation is broken. It also seems to use Aquaterm, which is strange. Paul, is there any chance that Aquaterm is looking for a dynamic pgplot library? Stefano, you did delete all the Ifeffit installation receipts in '/Library/Receipts' and installed the binary package, right? > > Can anyone else confirm / deny if the installer works on OS X 10.4? > > maybe I am the only one using it? :-) I sort of doubt that, but it would be more convenient if we didn't have to support it. --Matt

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Re: [Ifeffit] xafs on wikipedia
by Bruce Ravel 07 Apr '06

07 Apr '06

On Friday 07 April 2006 14:04, you wrote: > Does it seem reasonable to you (and Bruce?) to use the 'CC > share-alike' license for all web / wiki content on xafs.org (and > perhaps the ifeffit wiki?), and make it clear to anyone posting that > what they post uses that license unless explicitly different? I think > we'd all agree on this, but it would be best to be clear. For the last couple years I have been using the CC Attribution-ShareAlike license for many things that I write. http://creativecommons.org/licenses/by-sa/2.5/ The attribution clause is consistent with how scientific attribution is typically done in the literature and the share-alike clause is consistent with how Matt and I license our codes. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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new release (061) of my codes
by Bruce Ravel 07 Apr '06

07 Apr '06

Hi folks, I just made a new release of Athena (0.8.049) and Artemis (0.8.006). A new source tarball is at SourceForge and at my website. An updater for Windows is on Matt's server. There is nothing big in this release, just some bug fixes and a few small usability improvements. See the release notes http://cars9.uchicago.edu/iffwiki/HoraeVersion061 for details. Enjoy, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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Ifeffit on 10.4
by Emmanuelle Montarges 06 Apr '06

06 Apr '06

Hi everyone Working on MacOs10.4 computer, after several unsuccessful installations of ifeffit package....I have the following message when I try to run Athena from the Terminal window. I downloaded Tk-804.027.tar and installed it in "temp" directory, but I still have the same message...have you ever had this error? ************ Can't load '/Library/Perl/5.8.6/darwin-thread-multi-2level/auto/Tk/Tk.bundle' for module Tk: dlopen(/Library/Perl/5.8.6/darwin-thread-multi-2level/auto/Tk/Tk.bundle, 1): Library not loaded: /usr/X11R6/lib/libX11.6.dylib Referenced from: /Library/Perl/5.8.6/darwin-thread-multi-2level/auto/Tk/Tk.bundle Reason: image not found at /System/Library/Perl/5.8.6/darwin-thread-multi-2level/DynaLoader.pm line 230. at /Applications/Ifeffit/bin/athena line 52 Compilation failed in require at /Applications/Ifeffit/bin/athena line 52. BEGIN failed--compilation aborted at /Applications/Ifeffit/bin/athena line 52. ********** thanks in advance for your help Emmanuelle MONTARGES-PELLETIER

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Re: latest version
by Bruce Ravel 06 Apr '06

06 Apr '06

On Tuesday 04 April 2006 11:09, you wrote: > Hi, Bruce, > > Could you please direct me to get the latest version of Athena and > Artemis? I am not sure if other windows users have the same > problem as I have but I don't think the download from Matt's webpage > been updated. And somehow the switch for the software to update > automatically in my computer was turned off and I can not get it turn > back on. Ning Download the most recent version of the installer then let the updater handle the chore of getting your computer up to date. Here are the details of how the updater works, including some troubleshooting tips: http://cars9.uchicago.edu/iffwiki/IfeffitOnWindows/WinUpdater If there are any other problems/questions -- ask on the mailing list. HTH, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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tungsten spectra
by Renato Canha Ambrosio 06 Apr '06

06 Apr '06

Dear colleagues, I woulk like to know if anyone ha the XANES spectra at LI, II and III from a W foil obtained at a conventional XAFS beamline. I need it in order to calibrate DXAS data. Thank you very much Renato Canha rcanha(a)ccet.ufrn.br -- Open WebMail Project (http://openwebmail.org) ---------- Original Message ----------- From: ifeffit-request(a)millenia.cars.aps.anl.gov To: ifeffit(a)millenia.cars.aps.anl.gov Sent: Sun, 2 Apr 2006 12:00:11 -0500 Subject: Ifeffit Digest, Vol 38, Issue 2 > 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. xafs on wikipedia (Francesco Giannici) > 2. Re: xafs on wikipedia (Stefano Ciurli) > 3. Re: xafs on wikipedia (Carlo Segre) > > ---------------------------------------------------------------------- > > Message: 1 > Date: Sun, 2 Apr 2006 09:00:56 +0200 > From: "Francesco Giannici" <zenarcade(a)libero.it> > Subject: [Ifeffit] xafs on wikipedia > To: "ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <IX325K$B150A1BE546B51869BD525DBC482B4F4(a)libero.it> > Content-Type: text/plain; charset=iso-8859-1 > > Hi all. > I'd like to let you know that the Italian version of Wikipedia now > contains an article on X-ray absorption, at > http://it.wikipedia.org/wiki/EXAFS . > (Wikipedia is a free encyclopedia that anyone can edit). I used some > images by Bruce, who asked me to make this announcement. Although > the article is written in Italian, maybe it could motivate the > readers of this list to do the same on their local wikipedia. > > Bye > -- > Francesco Giannici > Dept. of Inorganic Chemistry > University of Palermo > giannici at pa dot ismn dot cnr dot it > > ------------------------------ > > Message: 2 > Date: Sun, 2 Apr 2006 10:32:24 +0200 > From: Stefano Ciurli <stefano.ciurli(a)unibo.it> > Subject: Re: [Ifeffit] xafs on wikipedia > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <a06230903c0553c88e83b(a)[192.168.1.3]> > Content-Type: text/plain; charset="us-ascii" ; format="flowed" > > Dear Francesco, > very well done! Thanks! > Stefano > -- > ____________________________________________ > > Stefano Ciurli > Professor of Chemistry > Laboratory of Bioinorganic Chemistry > Department of Agro-Environmental Science and Technology > University of Bologna > Viale Giuseppe Fanin, 40 > I-40127 Bologna > Italy > Phone: +39-051-209-6204 > Fax: +39-051-209-6203 > > "Fatti non foste a viver come bruti, > ma per seguir virtute e canoscenza" > Dante Alighieri - Inferno - Canto XXVI > > "Ihr seid bestimmt, nicht Tieren gleich zu leben, > Nein, Tugend zu erringen und Erkenntnis" > "Ye were not form'd to live the life of brutes, > But virtue to pursue and knowledge high" > > ------------------------------ > > Message: 3 > Date: Sun, 2 Apr 2006 10:39:50 -0500 (CDT) > From: Carlo Segre <segre(a)iit.edu> > Subject: Re: [Ifeffit] xafs on wikipedia > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <Pine.LNX.4.64.0604021039290.4587(a)localhost.localdomain> > Content-Type: text/plain; charset=us-ascii; format=flowed > > Dear Francesco: > > Excellent! > > Carlo > > On Sun, 2 Apr 2006, Francesco Giannici wrote: > > > Hi all. I'd like to let you know that the Italian version of Wikipedia > > now contains an article on X-ray absorption, at > > http://it.wikipedia.org/wiki/EXAFS . (Wikipedia is a free encyclopedia > > that anyone can edit). I used some images by Bruce, who asked me to make > > this announcement. Although the article is written in Italian, maybe it > > could motivate the readers of this list to do the same on their local > > wikipedia. > > > > Bye > > > > -- > Carlo U. Segre -- Professor of Physics > Associate Dean for Special Projects, Graduate College > Illinois Institute of Technology > Voice: 312.567.3498 Fax: 312.567.3494 > Carlo.Segre(a)iit.edu http://www.iit.edu/~segre > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > End of Ifeffit Digest, Vol 38, Issue 2 > ************************************** ------- End of Original Message -------

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Re: latest version
by Bruce Ravel 05 Apr '06

05 Apr '06

On Tuesday 04 April 2006 11:09, you wrote: > Hi, Bruce, > > Could you please direct me to get the latest version of Athena and > Artemis? I am not sure if other windows users have the same > problem as I have but I don't think the download from Matt's webpage > been updated. And somehow the switch for the software to update > automatically in my computer was turned off and I can not get it turn > back on. Ning Download the most recent version of the installer then let the updater handle the chore of getting your computer up to date. Here are the details of how the updater works, including some troubleshooting tips: http://cars9.uchicago.edu/iffwiki/IfeffitOnWindows/WinUpdater If there are any other problems/questions -- ask on the mailing list. HTH, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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xafs on wikipedia
by Francesco Giannici 02 Apr '06

02 Apr '06

Hi all. I'd like to let you know that the Italian version of Wikipedia now contains an article on X-ray absorption, at http://it.wikipedia.org/wiki/EXAFS . (Wikipedia is a free encyclopedia that anyone can edit). I used some images by Bruce, who asked me to make this announcement. Although the article is written in Italian, maybe it could motivate the readers of this list to do the same on their local wikipedia. Bye -- Francesco Giannici Dept. of Inorganic Chemistry University of Palermo giannici at pa dot ismn dot cnr dot it

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Re: [Ifeffit] new release (061) of my codes
by Matt Newville 31 Mar '06

31 Mar '06

Stefano, I'm very confused. Please help me understand what does and does not work for you. Today you said: > 2) If I just type 'ifeffit' from the command line I get the following: > > > stefano% ifeffit > > dyld: Library not loaded: /usr/local/lib/libpgplot.dylib > Referenced from: /Applications/Ifeffit/bin/ifeffit > Reason: image not found > > Trace/BPT trap > Emmanuelle seems to have similar behavior. Of course, you know that this means that no ifeffit applications will run correctly. The messages you sent yesterday implied very strange permission problems and was definitely different than this. What changed? Has the ifeffit command-line program EVER worked for you? Really, I hope this question illustrates my confusion about what does and does not work for you. But you also said today: > just to let people know that for me (OSX 10.4.5) Athena works fine > after installation from ifeffit-1.2.8-Mac10.4.1_pkg.dmg OK... so Ifeffit and athena work??? That is very confusing. It also seems to be very different from Emmanuelle's experience. Hmmm. Then again, if Ifeffit and athena do work, what is the problem you're having? --Matt

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Re: [Ifeffit] new release (061) of my codes
by Matt Newville 31 Mar '06

31 Mar '06

Stefano, I don't know why 'ifeffit i' reports a blank during perl's configuration. Can you verify these from a terminal: A. what does ~> /Applications/Ifeffit/bin/ifeffit -i report? B. Start the command-line ifeffit and type ifeffit> print $&install_dir what does this say? Then again, I don't understand why horae needs to do 'ifeffit -i' on a Mac. It will always be /Applications/Ifeffit/share/ifeffit. --Matt

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