[Ifeffit] LCF on Larch - EXAFS Region

Garret Bland gbland at andrew.cmu.edu
Thu Aug 9 22:16:10 CDT 2018


Thanks for the reply Matt! I mostly do linear combinations in the XANES
region as well, but with Hg, I also do first derivative of XANES and EXAFS
regions to confirm my fits.
Garret

On Thu, Aug 9, 2018 at 3:57 PM Matt Newville <newville at cars.uchicago.edu>
wrote:

> Hi Garret,
>
> On Thu, Aug 9, 2018 at 12:27 PM Garret Bland <gbland at andrew.cmu.edu>
> wrote:
>
>> Hello!
>>
>> I've recently been trying to use Larch instead of Athena for EXAFS
>> analysis, and I mainly do linear combination fitting for my samples. It
>> seems that the XANES fitting is doing just fine requesting a specified
>> region to fit (-25 to +75 eV). When I try to fit in the k-space however,
>> Larch does not request a specific region in k space. I try to input the eV
>> values corresponding to the k value I want to fit, but it is still plotting
>> in mu rather than k . Is there anyway I can change this and/or do it
>> manually on the larch GUI? Any help would be appreciated!
>>
>
> You're right that linear combinations in k-space are not really working in
> Larch's XAS Viewer, including that the range can only be set in energy.
> Much of XAS Viewer is fairly new -- I think it is fairly complete, but
> there are a few missing parts.  I don't ever do linear combinations of
> chi(k) myself and am slightly skeptical that they are robust, so they've
> haven't surfaced to the top of the ToDo list yet.  Any help would be
> greatly appreciated.
>
> --Matt
>
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-- 
Garret Bland
Graduate Student
Carnegie Mellon University
Civil and Environmental Engineering
Porter Hall 207C
Pittsburgh, PA, 15213
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