[Ifeffit] Running FEFF 8 in Artemis

[Matthew Newville]

On Fri, Sep 13, 2019, 11:58 AM Farideh Jalilehvand <faridehj at ucalgary.ca>
wrote:

> Hi everyone,
>
> I am trying to do EXAFS data analysis using Artemis and FEFF 8.
>
> To do so, I have followed these steps:
>
>    1. Changed FEFF executable file path
>    2. Changed Process from Demeter to FEFF8
>
>
>
> FEFF 8.10 runs, but it does not generate paths that I can pick for fitting.
>
> The console shows that paths have been found, but does not write it.
>
>
>
> When I run FEFF outside the Artemis program, it does write the paths as
> the PRINT card in FEFF.inp file is set at (PRINT   1    1    1   3).
>
>
>
> So, greatly appreciate if you can help me finding a solution for this
> problem.
>


I believe that feff8 wants 6 numbers in the control and print statements.
I think you can just add some zeros there and it will probably work

> Kind regards,
>
> Farideh
>
>
>
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
>
> Farideh Jalilehvand, Ph.D.
>
> Associate Professor, and Associate Head (Undergraduate)
>
> Department of Chemistry, University of Calgary
>
> 2500 University Dr. NW, Calgary, AB T2N 1N4, Canada
>
> Tel: (403) 220-3855 / 220-5353│E-mail: faridehj at ucalgary.ca
>
> URL: http://www.chem.ucalgary.ca/research/groups/faridehj/
>
>
>
>
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