[Ifeffit] quotation of figures
Kelly, Shelly D.
SKelly at anl.gov
Wed Jul 16 17:35:38 CDT 2008
I'd like to add my 2cents worth about the mean square displacement term. I wrote it up on the EXAFS wiki, since I like to say it over and over. see http://www.xafs.org/Common_Mistakes
Shelly
________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Scott Calvin
Sent: Wed 7/16/2008 3:54 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] quotation of figures
Hi Rich,
"Mean-square radial disorder" (MSRD) is one good alternative.
I'll also point out another bit of ambiguity with "Debye-Waller
factor" aside from the confusion with the XRD term. Some EXAFS
practitioners use Debye-Waller factor to indicate all disorder-type
modifications to the EXAFS equation, including higher cumulants. Most
use it only for the Gaussian part; i.e. the second cumulant. Another
good reason to avoid the term.
--Scott Calvin
Sarah Lawrence College
On Jul 16, 2008, at 4:41 PM, Richard Mayes wrote:
>
>
>
>>
>> I also dislike the phrase "Debye-Waller factor" for the exafs
>> disorder
>> term. In crystallography, the Debye-Waller factor refers to disorder
>> of atoms about their lattice positions. In exafs, the disorder is
>> about the path length of the N-body configuration -- clearly not the
>> same thing. I am, apparently, in the minority on this topic --
>> "Debye-Waller factor" is in wide use in the exafs literature. But,
>> as
>> everyone here knows, I often like to stand up on my soapbox and yell
>> into the crowd. ;-)
>>
>
> Bruce,
>
> While you're on your soapbox, if we drop "Debye-Waller factor" to
> describe
> the EXAFS disorder term, would you suggest using only "disorder" or
> do you
> have a better phrase to use?
>
> Rich
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