Hello everyone,

First, I would like to pay homage to the authors of that fairly user-friendly software, which is very useful for a  diffusion of XAFS technique. Thanks to the detailed explanation found in the various tutorials, I became able to use it almost without any help.
Despite every thing, I encounter now some difficulties running DIFFKK and DELTAF in IFEFFIT.  I am trying  to reduce DAFS data of a metallic nitride film at the Ti K-edge and  I need anomalous scattering factors. First I built diffkk.inp and deltaf.inp files following the instructions given by Matt Newville and Julie O. Cross in the Diffkk tutorial. Then, I begin to run diffkk in ifeffit 1.2.11c as follows:

ifeffit> run diffkk
ifeffit> read diffkk.inp

or
 ifeffit> run deltaf  
ifeffit> read deltaf.inp

I become only a file named userenv.log  with such comments: " cannot process autoexec.bat". Perhaps I loaded a wrong version of IFEFFIT.
Thank you in advance.

Marie-Hélène



Diffkk.inp

%Anomalous scattering at Ti K-edge%

Title=Ti0.5Al0.5N (2microns) XAFS data

out = C:\Program Files\Ifeffit\Ti05diffkk.fpp  %output file name

xmu= C:\Program Files\Ifeffit\L27ACIEReldeg.xmu  %xmu data file name

isfeff=false  %is this a feff xmu.dat ?

encol=1  % energy column

mucol=2  % mu(E) column

iz=22  % z of central atom (Ti)

e0=4968.0000  % edge energy

egrid= 1.0000  % energy grid

ewidth=1.2000  % for broadening Cromer-Liberman f"(E)

elow=70.0000  % how far below the data range to go

ehigh=500.0000 %  how far above the data range to go

%------------------------%

Deltaf.inp

%Bare atom resonant scattering factors at Ti K-edge%

Title=Ti0.5Al0.5N (2microns) delta f"

out = C:\Program Files\Ifeffit\Ti05deltaf.fpp  %output file name

iz=22  % z of central atom (Ti)

e0=4968.0000  % edge energy

ehigh=500 %  how far above the data range to go

elow=70  % how far below the data range to go

egrid= 1  % energy grid

ewidth=1.2  % for broadening Cromer-Liberman f"(E)

end

%------------------------%