Bruce Ravel wrote:
You are correct that it reports N_idp=(2*delta_k*delta_R/pi) -- I just looked at the code and that is indeed what it does. I don't think, however, that you are correct that Ifeffit adds the 2. I also looked at the Ifeffit code. At line 341 in iff_feffit.f, Nidp is computed without the added constant. (But perhaps I am missing something else in the code...?) It is true that there is a difference in how Ifeffit computes Nidp during a fit and how Artemis computes it when asked. Ifeffit uses that actual grid values of the first and last points of the actual data grid in the Fourier transform range in k and of the fit range in R. Artemis uses the numbers entered into the k-range and R-range boxes on the data page. It is not unbelievable that those values might conspire to be different by 1.
In my case the difference (+2 value) is with the command line program
"feffit". I mean, giving a feffit.inp file to feffit I obtain a
different result than using Ifeffit/Artemis with the same paths/variables.
To be more precise, my question should be: why differs the minimization
feffit() function in Ifeffit with the "feffit" command line program?
M.
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Mauro Rovezzi