[Ifeffit] save Artemis project and cannot find Path List information when reopen
huyanyun at physics.utoronto.ca
huyanyun at physics.utoronto.ca
Fri Aug 29 10:12:17 CDT 2014
Hi Bruce,
I was trying to figure out the absorber's occupancy sites. As I tried
one of the possible site I didn't get a good fit or it seems I am in
the wrong track, I went back to change the atom's coordination in
Feff.inp, assuming a displacement, then re-run feff and do fitting
again.
As this would be problem, I will not do this again, instead, I will
load more .cif files and run all Feff before I do fitting.
Best,
Yanyun
Quoting Bruce Ravel <bravel at bnl.gov>:
> On 08/29/2014 10:40 AM, huyanyun at physics.utoronto.ca wrote:
>>
>> Now I understand why it happens --I re-run the feff calculation after
>> running a fit.
>
> Why do you do that?
>
> I am not criticizing, I am trying to understand what you are trying
> to accomplish. As you can tell from my earlier comments, re-running
> the feff calculation is an action that surprises both me and
> Artemis, so I'd like to understand what you are aiming to do.
>
> B
>
> --
> Bruce Ravel ------------------------------------ bravel at bnl.gov
>
> National Institute of Standards and Technology
> Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
>
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