[Ifeffit] Ifeffit Digest, Vol 48, Issue 14

Tue Feb 27 08:33:11 CST 2007

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 at millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of
ifeffit-request at millenia.cars.aps.anl.gov
Sent: 26 February 2007 18:00
To: ifeffit at millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 48, Issue 14

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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" <leandrolangie at gmail.com>
Subject: Re: [Ifeffit] E0 for bulk crystals and nanoparticles
To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
Message-ID:
	<5f59b3760702251952y535fae5axb9fd91d63789564f at 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 <bravel at anl.gov>
Subject: [Ifeffit] Fwd: Re:  E0 for bulk crystals and nanoparticles
To: XAFS Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <200702260904.16718.bravel at 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 at 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 \(Josep\)" <josep.roque at diamond.ac.uk>
Subject: [Ifeffit] FEFF 6L.02
To: <ifeffit at millenia.cars.aps.anl.gov>
Message-ID:

<DC69C90BD4A39249BF59689B2E06427803B04E42 at exchange33.fed.cclrc.ac.uk>
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 at diamond.ac.uk 

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Message: 4
Date: Mon, 26 Feb 2007 11:32:36 -0600
From: Bruce Ravel <bravel at anl.gov>
Subject: Re: [Ifeffit] FEFF 6L.02
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <200702261132.36621.bravel at anl.gov>
Content-Type: text/plain;  charset="iso-8859-15"

On Monday 26 February 2007 10:29, Roque, J (Josep) wrote:
> 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??

That's not a bug report in that it provides no actionable information.

The statement "Feff 6.02L doesn't work" is demonstrably false.  People
use it on their windows machines all the time.  The statement "Feff
6.02L does not work on Josep's machine" might be true, however.

If you expect to get help from this mailing list, you need to provide
something: a screenshot demonstrating the problem, a transcription of
the error messages it generates, a description of any problems you had
installing the software, something....

B

--
 Bruce Ravel  ----------------------------------------------
bravel at 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: 5
Date: Mon, 26 Feb 2007 12:36:44 -0500
From: "Anatoly Frenkel" <frenkel at bnl.gov>
Subject: Re: [Ifeffit] FEFF 6L.02
To: "'XAFS Analysis using Ifeffit'"
	<ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <20070226173646.F4189134009 at fe5.prod.mis.yu.edu>
Content-Type: text/plain;	charset="iso-8859-1"

It is probably because I know Bruce for so long that I give almost
identical replies to my students who email me: "Dr. Frenkel, I tried to
solve a homework problem but it did not work. What did I do wrong?"

Anatoly

-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Bruce
Ravel
Sent: Monday, February 26, 2007 12:33 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] FEFF 6L.02

On Monday 26 February 2007 10:29, Roque, J (Josep) wrote:
> 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??

That's not a bug report in that it provides no actionable information.

The statement "Feff 6.02L doesn't work" is demonstrably false.  People
use it on their windows machines all the time.  The statement "Feff
6.02L does not work on Josep's machine" might be true, however.

If you expect to get help from this mailing list, you need to provide
something: a screenshot demonstrating the problem, a transcription of
the error messages it generates, a description of any problems you had
installing the software, something....

B

--
 Bruce Ravel  ----------------------------------------------
bravel at 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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End of Ifeffit Digest, Vol 48, Issue 14
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