August 2007 - Ifeffit - millenia.cars.aps.anl.gov

log1.dat & program break
by s440697＠stud.uni-goettingen.de 22 Aug '07

22 Aug '07

Hello, i have 2 questions. I read in the log1.dat file (from a xanes-calculation, see also attachment) negative dens 10 2 negative dens 20 2 negative dens 30 2 negative dens 40 2 What does this mean? negative dens=negative density ?? Is this a message i have to be worried about? The second problem is a program break. I modified the entry nclusx=175 to nclusx=500 in the feff84.f to make a xanes-calculation with a 328-Atoms cluster (or maybe later more). The compilation (f77 -o feff84_500 feff84_500.f) finished without messages and i started the calculation with feff84_500 but then the prompt answered with: $ feff84_500 Killed $ I did the same procedure with nclusx=400 and compiled it. With feff84_400 the calculation works... Does anyone know if there is a problem with nclusx=500? Thanks for your help and time. sincerely yours, Eckhard Bosman --------------------------------- Eckhard Bosman e.bosman(a)stud.uni-goettingen.de +49 (0)551-39-14441 Raum: E0.104 Institut für Röntgenphysik Friedrich-Hund-Platz 1 37077 Göttingen Germany

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Re: [Ifeffit] nclusx=500
by joshua jason kas 22 Aug '07

22 Aug '07

Hi Eckhard, For now I will only answer your question about nclusx since I have to investigate the neg dens situation. You are running out of memory when you set nclusx=500. There are two possibilities here. 1. You don't have enough RAM. I think the problem is that feff84.f on the web has some funny defaults that need to be changed. nex is another parameter which gives the number of energy points. I am guessing that it is set to 450 in your version. Set it to 150. This was the default for feff82, and should be the default for feff84. I will change the one on the web as well. 2. Your stacksize is not set to unlimited. To figure out what the stacksize is set to, type ulimit -s If it doesn't return unlimited, type ulimit -s unlimited The above commands are for bash. I think tcsh might use a different command (limit maybe?). For the negative density stuff, could you send your feff.inp file? Cheers, Josh Kas > > Hello, > > i have 2 questions. > > I read in the log1.dat file (from a xanes-calculation, see also attachment) > negative dens 10 2 > negative dens 20 2 > negative dens 30 2 > negative dens 40 2 > What does this mean? negative dens=negative density ?? Is this a message i > have to be worried about? > > The second problem is a program break. I modified the entry nclusx=175 to > nclusx=500 in the feff84.f to make a xanes-calculation with a 328-Atoms > cluster (or maybe later more). The compilation (f77 -o feff84_500 > feff84_500.f) finished without messages and i started the calculation with > feff84_500 but then the prompt answered with: > $ feff84_500 > Killed > $ > > I did the same procedure with nclusx=400 and compiled it. With feff84_400 > the calculation works... Does anyone know if there is a problem with > nclusx=500? > > Thanks for your help and time. > > sincerely yours, > Eckhard Bosman > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany >

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Feff for > 175 atoms
by joshua jason kas 20 Aug '07

20 Aug '07

Hi Eckhard, You did the right thing. nclusx is the parameter you want to change and you want to change it everywhere that it appears in the whole file. Bruce's suggestion to check the results is also good. Also, just so that you know, the code will eventually crash (or possibly not compile) if nclusx is set too large. There are some workarounds, but I'll leave that for another day. Cheers, Josh Kas On Mon, 20 Aug 2007, 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. Feff for > 175 atoms (s440697(a)stud.uni-goettingen.de) > 2. Re: Feff for > 175 atoms (Bruce Ravel) > 3. Re: Feff for > 175 atoms (s440697(a)stud.uni-goettingen.de) > 4. Feff for > 175 atoms (appendix) (s440697(a)stud.uni-goettingen.de) > 5. Re: Feff for > 175 atoms (appendix) (Bruce Ravel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 20 Aug 2007 10:59:25 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: [Ifeffit] Feff for > 175 atoms > To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> > Cc: Bruce Ravel <bravel(a)anl.gov> > Message-ID: > <41184.134.76.41.165.1187600365.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello, > i tried to run feff with a atomcluster of 249 atoms (under linux) and got > this message: > > You specified a cluster of 249 atoms for the FMS calculation. > This exceeds the hard wired limit of 175 atoms. > The cluster size was reset to 175 and the calculation will continue. > > Then i made a feff-run with feff84_300.exe (under windows) with the same > 249-atomcluster. This worked fine. But is there a linux-version for 300 > atoms? Or is there a way to make a feff-run under linux with such big > cluster? > > I would be very thankful for an answer :-) > > sincerely yours, > Eckhard Bosman > > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 2 > Date: Mon, 20 Aug 2007 08:15:14 -0500 > From: Bruce Ravel <bravel(a)anl.gov> > Subject: Re: [Ifeffit] Feff for > 175 atoms > To: s440697(a)stud.uni-goettingen.de, XAFS Analysis using Ifeffit > <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <200708200815.14582.bravel(a)anl.gov> > Content-Type: text/plain; charset="iso-8859-1" > > On Monday 20 August 2007, s440697(a)stud.uni-goettingen.de wrote: >> Hello, >> i tried to run feff with a atomcluster of 249 atoms (under linux) and got >> this message: >> >> You specified a cluster of 249 atoms for the FMS calculation. >> This exceeds the hard wired limit of 175 atoms. >> The cluster size was reset to 175 and the calculation will continue. >> >> Then i made a feff-run with feff84_300.exe (under windows) with the same >> 249-atomcluster. This worked fine. But is there a linux-version for 300 >> atoms? Or is there a way to make a feff-run under linux with such big >> cluster? >> >> I would be very thankful for an answer :-) > > Eckhard, > > This is not a version problem, per se. The issue is how the various > constants are set when Feff is compiled. When you unpack the source > code for feff, you will see a whole slew of directories. One of them > is called "HEADERS/". In that directory is a file called "dim.h". > Near the top of that file, you will find a constant called "nclusx". > In the source tarball, this parameter is set to 175, but you can > change it and recompile. > > Once you change that value to 300 (or whatever) and recompile Feff, > you should be able to run your problem on your linux machine. I > suspect (but do not know for sure) that the only difference between > the windows feff84_300.exe and the normal feff84.exe is the size of > the nclusx parameter. > > 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/ > > > > ------------------------------ > > Message: 3 > Date: Mon, 20 Aug 2007 16:02:58 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: Re: [Ifeffit] Feff for > 175 atoms > To: "Bruce Ravel" <bravel(a)anl.gov> > Cc: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <43756.134.76.41.165.1187618578.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello Bruce, > > thanks for your fast answer. Excuse me, for the stupid question. But i > can't find the packed (linux)source-code for feff with slew of > directories. I only found one single file, the feff84.f or the > feff84.tar.gz or the feff84.zip (which contains only the feff84.f file) on > the feff-distribution webpage. > (http://leonardo.phys.washington.edu/feff/Secure-area/Bin-Source-feff8/Sourc…) > > Thanks for your help. > Eckhard > >> Eckhard, >> >> This is not a version problem, per se. The issue is how the various >> constants are set when Feff is compiled. When you unpack the source >> code for feff, you will see a whole slew of directories. One of them >> is called "HEADERS/". In that directory is a file called "dim.h". >> Near the top of that file, you will find a constant called "nclusx". >> In the source tarball, this parameter is set to 175, but you can >> change it and recompile. >> >> Once you change that value to 300 (or whatever) and recompile Feff, >> you should be able to run your problem on your linux machine. I >> suspect (but do not know for sure) that the only difference between >> the windows feff84_300.exe and the normal feff84.exe is the size of >> the nclusx parameter. >> >> HTH, >> B > > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 4 > Date: Mon, 20 Aug 2007 16:35:21 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: [Ifeffit] Feff for > 175 atoms (appendix) > To: "Bruce Ravel" <bravel(a)anl.gov>, "XAFS Analysis using Ifeffit" > <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <53871.134.76.41.165.1187620521.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello Bruce, > > i opened the one big feff84.f file and searched for "nclusx=175" and > changed this to "nclusx=300" in the whole file. Then i compiled it with > f77 -o and so on. I started my feff-run and it seems to be good. Is this > proceeding wise? I don't know much about such things :-/ > > Thanks for your help and time. > Eckhard > >> Eckhard, >> >> This is not a version problem, per se. The issue is how the various >> constants are set when Feff is compiled. When you unpack the source >> code for feff, you will see a whole slew of directories. One of them >> is called "HEADERS/". In that directory is a file called "dim.h". >> Near the top of that file, you will find a constant called "nclusx". >> In the source tarball, this parameter is set to 175, but you can >> change it and recompile. >> >> Once you change that value to 300 (or whatever) and recompile Feff, >> you should be able to run your problem on your linux machine. I >> suspect (but do not know for sure) that the only difference between >> the windows feff84_300.exe and the normal feff84.exe is the size of >> the nclusx parameter. >> >> HTH, >> B > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 5 > Date: Mon, 20 Aug 2007 09:37:51 -0500 > From: Bruce Ravel <bravel(a)anl.gov> > Subject: Re: [Ifeffit] Feff for > 175 atoms (appendix) > To: s440697(a)stud.uni-goettingen.de > Cc: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <200708200937.51359.bravel(a)anl.gov> > Content-Type: text/plain; charset="iso-8859-1" > > On Monday 20 August 2007, s440697(a)stud.uni-goettingen.de wrote: >> i opened the one big feff84.f file and searched for "nclusx=175" and >> changed this to "nclusx=300" in the whole file. Then i compiled it with >> f77 -o and so on. I started my feff-run and it seems to be good. Is this >> proceeding wise? I don't know much about such things :-/ > > > That seems right to me. As a test, you could compare the result on > linux with nclusx=300 to what you ran on windows. If they are the > same then the two are equally right (or equally wrong!). > > 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/ > > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 54, Issue 12 > *************************************** >

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Re: [Ifeffit] Update on the NSLS XAFS course
by Bruce Ravel 20 Aug '07

20 Aug '07

Hi folks, Anatoly asked me to mention that there is an XAS short course at the NSLS coming up soon: Application of XAFS to Nanocatalysis Science Location: Brookhaven National Laboratory Dates: October 25-27, 2007 Website: http://www.nsls.bnl.gov/newsroom/events/workshops/2007/exafs/ Please pass this information along to your associates and graduate students who may benefit from learning about advanced applications of XAFS technique to catalysis research. 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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答复: Ifeffit Digest, Vol 54, Issue 10
by Wang Ke-Fan 18 Aug '07

18 Aug '07

Hi everyone, Joji and Bruce The method advised by Joji is very effective. I transferred the data group to "C:\Program Files\Ifeffit\examples\Athena", and renamed the data group of "xafs", and then everything is OK. Thank you very much,Joji! Wang -----邮件原件----- 发件人: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] 代表 ifeffit-request(a)millenia.cars.aps.anl.gov 发送时间: 2007年8月18日 1:00 收件人: ifeffit(a)millenia.cars.aps.anl.gov 主题: Ifeffit Digest, Vol 54, Issue 10 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. Re: The IFEFFIT 1.2.10 at Win XP SP2 (Joji Kuniya) 2. Re: The IFEFFIT 1.2.10 at Win XP SP2 (Bruce Ravel) ---------------------------------------------------------------------- Message: 1 Date: Fri, 17 Aug 2007 22:37:40 +0900 From: "Joji Kuniya" <thinkpadt60(a)silk.ocn.ne.jp> Subject: Re: [Ifeffit] The IFEFFIT 1.2.10 at Win XP SP2 To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> Message-ID: <002101c7e0d3$c8b11c00$030ba8c0@kuniya2> Content-Type: text/plain; charset="iso-8859-1" Hi Wang My name is Joji Kuniya. I encountered just as your file reading problem. I moved the file from desktop(??????) to another disk which is exist Ifeffit program, and changed the file name from Japanese (I have been using a Japanese model PC) to English. So that, Athena program successfully reads the files. I think that Athena program could not read the Chinese word in your file pass. I recommend to you that to change your analyzing file name from Chinese to English. Best regards Joji Kuniya ----- Original Message ----- From: Wang Ke-Fan To: ifeffit(a)millenia.cars.aps.anl.gov Sent: Friday, August 17, 2007 8:46 PM Subject: [Ifeffit] The IFEFFIT 1.2.10 at Win XP SP2 Hi everyone and Matt To make the problem happened to me clearer, please import the data 1-4.Dat attached and see the result. The result on my Windows XP SP2 is also attached in name of 1-4.jpg. The case may be different from others. The IFEFFIT is downloaded from "http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe". Wang ---------------------------------------------------------------------------- -- _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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The IFEFFIT 1.2.10 at Win XP SP2
by Wang Ke-Fan 17 Aug '07

17 Aug '07

Hi everyone and Matt To make the problem happened to me clearer, please import the data 1-4.Dat attached and see the result. The result on my Windows XP SP2 is also attached in name of 1-4.jpg. The case may be different from others. The IFEFFIT is downloaded from " <http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe> http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe". Wang

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Two simple question about Athena
by Wang Ke-Fan 15 Aug '07

15 Aug '07

Hi everyone I am a beginner about IFEFFIT. Now I have some XAFS data measured at BL13B of KEK, Japan, using 100 pixel Ge array detectors. They are named such as *.dat. edt. Is there someone from KEK and I can discuss with him on the data processing? Another question I found is that, the Athena 1.2.10 downloaded from " <http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe> http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe" can not open file like this: 10957.9 0.00489 10966.26 0.00481 10974.63 0.00469 10983.01 0.00458 ........ The left is energy, the right is mu(E) The preprocessing software often alert that "Could not read xxx (file does not exit)". Such case does not happen to version 1.2.9. I guess that the new version could not work well on Windows XP. Does some one else meet such things? Wang

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New version does not run under Win2000?
by Joji Kuniya 15 Aug '07

15 Aug '07

Hi Bruce Good morning. I tried to install your new version of Ifeffit on to my Win2000 PC, because I am using Win2000 at my office. But, I can not install it. Does the new version run only under Win XP? And, I have file opening problem just as the Dr. Wang experienced. So, I using old version (1.2.9). I can read file name before loading on Athena program under new version running. It is useful for data managing. So, I hope for clean up this problem. Thank you. Joji Kuniya

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Beamline / Scientific Positions at the Australian Synchrotron
by Chris Glover 15 Aug '07

15 Aug '07

Dear XAFS Colleagues, A number of Beamline Scientist / Scientist (10) and Beamline Scientific Support (4) positions have just been advertised at the Australian Synchrotron. Two positions are related to the XAFS beamline. I encourage you to spread this advertisement far and wide and encourage suitable persons to apply. Further details are available here: http://www.synchrotron.vic.gov.au/content.asp?Document_ID=125 Regards Chris Glover.

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Fwd: 答复: About EXAFS process software
by Bruce Ravel 14 Aug '07

14 Aug '07

Hi Wang, I am forwarding my answer to the Ifeffit mailing list. One of the most important reasons for having a mailing list is to provide a resource for people like yourself who are new to EXAFS or to EXAFS analysis using Ifeffit and the related software. The URL for the mailing list is in my earlier email to you, shown below. I *strongly* encourage you to join and to post your questions there. The reason is that there are several people who answer questions on the mailing list. This gives you the benefit of the advice of several experts. What's more, if I am busy (as I will be when beam time starts tomorrow), there are other people available to answer your questions. > I have some simple question about IFEFFIT. Recently, from > "http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe" I have download > the lasted version. However, it can not open the attached .dat file which > can be opened correctly by version 1.2.9. I had no problem opening those data in Athena. They are very glitchy and a bit noisy but there is nothing wrong with those data. > There are many such simple difficulties for me to learn the software. I > am like a snail climbing on the way. Is there some study video on IFEFFIT to > be downloaded? Or else, would you kind to help me process 7 data about GeSi > alloy (formed in Ge/Siquantum dots)? I have the Ge-Si FEFF file. I synpathize with the difficulty of getting started with this software. It's non-trivial to use and basically everything is written in English. I am not in a position to offer to process data for you. Our software has many hundreds of users -- I simply cannot provide that kind of support without burying myself. I will however, point you in the direction of educational materials that are available. 1. The Athena document is a good place to start: http://cars9.uchicago.edu/~ravel/software/doc/Athena/html/ You also have a copy of the document on your computer if you installed the 1.2.10 windows installer. 2. More Ifeffit-related documentation is found here: http://cars9.uchicago.edu/iffwiki/Documentation 3. The stuff on this page: http://xafs.org/Tutorials is of very high quality. 4. Many of the workshops listed here have downloadable materials that are useful: http://xafs.org/Workshops 5. There is a very handy Artemis tutorial by Scott Calvin here: http://cars9.uchicago.edu/iffwiki/HoraeSoftware#contrib It walks you through an analysis of zinc oxide -- a fairly simple system. 6. I have, in fact, started thinking about using video to teach the use of the software. My first stab at doing this can be found here: http://cars9.uchicago.edu/iffwiki/HoraeSoftware#screencasts It's not perfect, but you might find it useful. Hope that helps. When it doesn't, feel free to ask questions here on the mailing list. Regards, Bruce > thank you for your consideration! > Yours sincerely > Dr Wang Kefan > -----????----- > ???: Bruce Ravel [mailto:bravel@anl.gov] > ????: 2007?7?26? 20:18 > ???: Wang Ke-Fan > ??: Re: About EXAFS process software > On Wednesday 25 July 2007, you wrote: > > Dear Bruce Ravel: > > > > Hi! > > > > I am a newcomer for EXAFS processing software. Now I am interesting > your > > IFEFFIT. But I found that your software may be based on the FEFF, which is > > charged software. Now I want to know, whether I can deal with my EXAFS > data > > or not completely free of charge. If not, may you give me some advices in > > view of a beginner? I have a little experience on USTCXAFS3.0 (a common > > software by NSRL XAFS group, China). > Hi Wang, > You are mistaken about the licensing conditions. Ifeffit ships with > version Feff6L, which carries a license that is rather like the BSD > license. See > http://cars9.uchicago.edu/iffwiki/License > When you install Ifeffit, Feff6L will also be installed on you > computer and, as the licence clearly states, Feff6L is freely > redistributable and free of cost. > That version cannot compute XANES in the manner of Feff8, but is just > fine for EXAFS analysis. > I highly recommend that you join the Ifeffit mailing list: > http://cars9.uchicago.edu/mailman/listinfo/ifeffit/ > It is a great resource for information about Feff and Ifeffit and a > friendly place to ask questions about XAS and about the software. > It is a pleasure to hear from you. Ifeffit has lots of users, but > very few in any of the east asian countries. I am very pleased to > hear that our community is growing in China. ;-) > Regards, > Bruce > -- > Bruce Ravel ---------------------------------------------- bravel(a)anl.gov > Molecular Environmental Science Group, Building 203, Room E-165 > MRCAT, Sector 10, Advance 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/ -- 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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