[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
>
>  Homepage:    http://bruceravel.github.io/home/
>  Software:    https://github.com/bruceravel
>  Demeter:     http://bruceravel.github.io/demeter/
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