The statement "Feff 6.02L doesn't work" is false also in Josep's computer. It works correctly.. Thanks. J. -----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request@millenia.cars.aps.anl.gov Sent: 26 February 2007 18:00 To: ifeffit@millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 48, Issue 14 Send Ifeffit mailing list submissions to ifeffit@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@millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner@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: E0 for bulk crystals and nanoparticles (Leandro Araujo) 2. Fwd: Re: E0 for bulk crystals and nanoparticles (Bruce Ravel) 3. FEFF 6L.02 (Roque, J (Josep)) 4. Re: FEFF 6L.02 (Bruce Ravel) 5. Re: FEFF 6L.02 (Anatoly Frenkel) ---------------------------------------------------------------------- Message: 1 Date: Mon, 26 Feb 2007 14:52:10 +1100 From: "Leandro Araujo" Subject: Re: [Ifeffit] E0 for bulk crystals and nanoparticles To: "XAFS Analysis using Ifeffit" Message-ID: <5f59b3760702251952y535fae5axb9fd91d63789564f@mail.gmail.com> Content-Type: text/plain; charset=ISO-8859-1; format=flowed Anatoly and Scott, thanks for the quick and valuable answers! Sorry I didn't specify the system in more detail; this is a point that Matt always stresses when replying messages in this list (i.e., there is no "one fits all" answer, so a detailed description of the system is needed) and by now I should have assimilated it already... Anyway, I see no changes whatsoever in the XANES spectra of the T-dep measurements, so I think it will be worth the try. Since I'm dealing with Ge NCs buried about 1micron deep into a SiO2 matrix, I reckon effects like hydrogen chemisorption, charge exchange with support, ligand desorption and oxidation will not take place, specially at such low T's. Thanks once more for the help, Leandro ------------------------------ Message: 2 Date: Mon, 26 Feb 2007 09:04:16 -0600 From: Bruce Ravel Subject: [Ifeffit] Fwd: Re: E0 for bulk crystals and nanoparticles To: XAFS Ifeffit Message-ID: <200702260904.16718.bravel@anl.gov> Content-Type: Text/Plain; charset="iso-8859-15" On Sunday 25 February 2007 20:44, Leandro Araujo wrote:

I don't know if it is just me, but in my short time working with EXAFS

I got the strong impression that it is very easy to fall into the temptation of sophistry to get to the "expected" results from a fit.

That is very well put. I hope everyone reading the list today appreciates your wise words.

In this respect, I consider the mailing list an invaluable resource to

help overcoming such a temptation.

That's great -- thanks. Kind words go a long way with those of us who invest time on the mailing list. As for your question -- I really liked Scott's point about looking at the XANES as a clue about whether e0 should be changing in the EXAFS. Use all the information (spectroscopic or otherwise) available to you. B -- Bruce Ravel ---------------------------------------------- bravel@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/ ------------------------------ Message: 3 Date: Mon, 26 Feb 2007 16:29:49 -0000 From: "Roque, J \(Josep\)" Subject: [Ifeffit] FEFF 6L.02 To: Message-ID: Content-Type: text/plain; charset="us-ascii" I am trying to run FEFF 6L.02 from version of IFEFFIT 1.2.9 on a Windows platform but it doesn't seems to work.. How can I fix this problem?? Cheers Dr Josep Roque Post Doctoral Research Associate: Microfocus Spectroscopy (I18) Diamond Light Source Ltd Diamond House Chilton Didcot Oxfordshire OX11 0DE Tel: 01235 778735 Email: josep.roque@diamond.ac.uk