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Today's Topics:
1. error function in Athena's peak analysis module (Linda Lim)
2. Re: error function in Athena's peak analysis module
(Chris Patridge)
3. Re: FOLP card (Joshua Kas)
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Message: 1
Date: Sat, 24 Nov 2012 12:24:08 -0800
From: Linda Lim <ywllim@stanford.edu>
To: Ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] error function in Athena's peak analysis module
Message-ID:
<CALPaxYDOUGa7_NMkLmDS31gnk6MFR9RRp4wda+Ji3=xRdHW5hQ@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"
Hi every one
I am trying to do peak fitting on Athena. Whenever I choose the error
function and click "fit" the software crashes, but it works fine when I
choose arctangent.
Just wondering if anyone encounter the same issue too, and whether I'm
missing something during the fitting process. Thanks!
Regards
Linda
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Message: 2
Date: Sat, 24 Nov 2012 15:28:18 -0500
From: Chris Patridge <patridge@buffalo.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] error function in Athena's peak analysis module
Message-ID: <A3E12845-325B-4DC7-A818-F646C2D018DC@buffalo.edu>
Content-Type: text/plain; charset="iso-8859-1"
Linda,
I don't know if Athena's strongest feature is peak fitting. It has been discussed before and it might be better to export the processed data and use a more robust fitting program.
buena salud,
Chris Patridge
On Nov 24, 2012, at 3:24 PM, Linda Lim <ywllim@stanford.edu> wrote:
> Hi every one
>
> I am trying to do peak fitting on Athena. Whenever I choose the error function and click "fit" the software crashes, but it works fine when I choose arctangent.
>
> Just wondering if anyone encounter the same issue too, and whether I'm missing something during the fitting process. Thanks!
>
> Regards
> Linda
>
>
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
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Message: 3
Date: Sat, 24 Nov 2012 19:08:37 -0800
From: Joshua Kas <joshua.j.kas@gmail.com>
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] FOLP card
Message-ID:
<CAHuhYRkQ4E1RJk8z44jHpWszskzZjAkTaCfSvU6NHei1k7GrXQ@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"
Hi Enyuan,
You can define the folp options separately for each unique potential, i.e.,
FOLP 0 1.0
FOLP 1 0.8
FOLP 2 1.2
Will give you touching muffin tins for the 0 potential (absorber),
and an overlap of 0.8 and 1.2 for the atoms with potential types 1 and 2
respectively. Note that the 0 potential will have not necessarily have
"touching" muffin tin, since the 2 potential is larger than touching and
could overlap the 0 potential. The third number gives the ratio of the
muffin tin size to the touching muffin tin size that the cod would use if
all FOLP radii were set to 1.0.
Cheers,
Josh Kas
Cheers,
Josh Kas
On Sat, Nov 24, 2012 at 10:00 AM, <ifeffit-request@millenia.cars.aps.anl.gov
> wrote:
> 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. FOLP card (Enyuan Hu)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sat, 24 Nov 2012 08:55:58 -0500
> From: Enyuan Hu <bearcharge@gmail.com>
> To: ifeffit <ifeffit@millenia.cars.aps.anl.gov>
> Subject: [Ifeffit] FOLP card
> Message-ID:
> <
> CAJud35MQx-zvbvpPH1zbPitFXaUj9qm8TgoqEWsH9yCnwawRNA@mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear all,
>
> I'm trying to see the impact of using FOLP card on my simulation results in
> Feff9. As far as I understand it, FOLP is defining the overlapping of
> muffin-tin radii. The first parameter defines the the position where this
> card will be used (expressed as potential type), right? so should I do the
> simulation for all potentials, that is going from 0 to the last number in
> my potential list, or I just do it for some specific positions (potential
> types)? thanks.
>
> Enyuan
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