Re: [Ifeffit] Bkg fit in Artemis

Hi Aranwela: This is a good place to start: http://cars9.uchicago.edu/~ifeffit/refman/node59.html Cheers, Shelly On Wed, Sep 8, 2010 at 10:49 PM, hemantha aranwela wrote: > Hi All, > > I like to understand the way how the background fitting is done in Artemis. > > How the background functions a

[Ifeffit] IXAFS3.0.2 and python scripting

Dear Matt, Works great on 10.6 for us too. Thanks a million times, and fingers crossed for finding the error in 10.5 ! We tried the python scripting, but apparently a /Users/Newville still lurks in there. Running the aps-12p9mLiCl.py script 1. #!/usr/bin/python 2. 3. import math 4. import

Re: [Ifeffit] IXAFS3.0.2 and python scripting

Hi Joel and Barb, Ah, sorry. I believe you need to do . /Applications/iXAFS.app/Contents/Resources/local/bin/iff_init.sh in the shell prior to running python, or add this to your bash .profile file. It would be better if the setup procedure detected that it was on a Mac and set the environme

[Ifeffit] atoms input file

Dear I would like to fit the signal from (U0.8Ce0.2)O2, so I tried to put Ce in the same position of U but all atoms generated files give no Ce in the scattering paths and some fitting give negative amplitude values. Could you help me with the Atoms input file? Mohamed __

Re: [Ifeffit] atoms input file

It would help to attach your atoms file Carlo -- Carlo Segre Professor of Physics Illinois Institute of Technology On Sep 9, 2010, at 2:29 PM, mohamed sobhy wrote: > Dear > I would like to fit the signal from (U0.8Ce0.2)O2, so I tried to put Ce in > the same position of U but all atoms gene

Re: [Ifeffit] atoms input file

Hi Mohamed, I'm not certain I understand what you're trying to do, but to add a "dopant" or partial occupancy of an atom at a particular lattice site, run atoms on the "pure" structure (UO2) and then replace some of the "solvant" (U) with the "solute" (Ce) in the feff.inp. See http://cars9.uch

Re: [Ifeffit] atoms input file

attached is the atoms input file Mohamed From: Carlo Segre To: XAFS Analysis using Ifeffit Cc: "ifeffit@millenia.cars.aps.anl.gov" Sent: Thu, September 9, 2010 2:45:20 PM Subject: Re: [Ifeffit] atoms input file It would help to attach your atoms file Carlo

[Ifeffit] iXAFS & python scripting

Hi Matt, Actually we did run . /Applications/iXAFS.app/Contents/Resources/local/bin/iff_init.sh (I was just wondering if it was still required). Hopefully the following output will be clearer than my prose. Line 5 in "iff = Ifeffit.Ifeffit()". The problem seems to be access to "/Users/Newvill

[Ifeffit] Advanced EXAFS analysis course in Brooikhaven, Nov 4-6, 2010

Dear IFEFFIT list subscribers: Those of you who may be interested in the XAFS short course at BNL (Nov 4-6, 2010), please find the application form available online: http://www.nsls.bnl.gov/newsroom/events/workshops/2010/exafs/