[Ifeffit] Query regarding inequivalent sites in the EXAFS fitting

[s440697 at stud.uni-goettingen.de]

Hi,
my normal proceeding is (for example Na_2 SO_4) to calculate with an
atom-cluster of this substance with lots of atoms an lots of sulfur. I
chose one as the absorber and make one single feff-run. But when i do this
for all sulfur atoms consecutively (because in experiment every sulfur
absorbs the x-rays of course) i have lots of single results in my several
folders. Now the question:

How can i combine this results meaningful? You said:
>You will then be able to import the first path of each calculation into
the >model.
Where can i find the first paths? paths.dat, list.dat or feffNNNN.dat? And
what do you mean with "import into the model"? Which model? Sorry, but i
worked only with the command-line based FEFF 8.4

and

> The outputs need to be summed over all the inequivalent positions.
>
> Carlo

Can you explain it please a little bit more in details?

best regards,
Eckhard