[Ifeffit] Path file does not exist
Yvonne Grunder
yvonne.grunder at manchester.ac.uk
Fri Apr 20 06:59:48 CDT 2012
Hallo,
I have currently a problem with Artemis to fit my data. First, I import
the paths from the Feff calculation and define my fitting parameters.
Then I can run the fit exactly one time. If I try to fit the data a
second time, I get the following error message:
PATH: Au ( 9999 1 2.470 ---- @ Au
@ 2 2 single scattering)
The path file does not exist (perhaps the Feff
calculation was not run).
(and similar for all paths included...).
Did anybody encounter a similar problem (I already reinstalled Demeter)?
Best wishes,
Yvonne
--
Dr Yvonne Grunder
Chemistry Building - 6.09
School of Chemistry
The University of Manchester
Manchester
M13 9PL
Tel.: +44 (0)161 306 4568
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