On Fri, Sep 13, 2019, 11:58 AM Farideh Jalilehvand <farid...@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: farid...@ucalgary.ca > > URL: http://www.chem.ucalgary.ca/research/groups/faridehj/ > > > > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit >
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