Re: [Ifeffit] running ifeffit-1.2.11 under 64-bit Windows 7

2012-03-07 Thread Dr. Dariusz A. Zając
Dear Sameh, I use also 64 bit Win7 and I do not observe any strange behaviour. All results I got are reasonable, and fitting with different models/starting parameters gives me the same final results (for the same sample, of course). More, I can compare results under Win Xp (old computer) with

Re: [Ifeffit] Crystallographic data for V(CO)6

2012-03-07 Thread Christopher Patridge
Ismael, You do really not need exact parameters which can is helpful in EXAFS. Can you find any references on the V-C bond length? Since CO is linear, the V-O and V-C-O scattering should be possible to roughly establish. I think a number of general inorganic textbooks might have information

[Ifeffit] appropriatness of feff model when central atom is not embedded (or only 1 layer embedded)

2012-03-07 Thread Andrea L Foster
Hello All, can someone please help with this: (1) feff requires that the adsorbing atom be embedded (that is, surrounded by) other atoms in order to calculate potentials correctly, but how deeply does the atom need to be embedded? For example, if I construct a model of an adsorbate on a

Re: [Ifeffit] inquire for the EXAFS of the mixture of species

2012-03-07 Thread Dr. Dariusz A. Zając
Hi winejia, it is trivial but at the same time hard problem to solve. There are 2 ways: using Athena and using Artemis Using Athena you have measured your sample and all possible references. The result comes from the fit of the linear combination of your references. Using Artemis is similar but