Just to add: These procedures, described in that article, can be easily implemented in Mathematica. Anatoly ________________________________ From: ifeffit-bounces@millenia.cars.aps.anl.gov on behalf of Ravel, Bruce Sent: Tue 8/24/2010 1:23 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] debye function On Tuesday 24 August 2010 12:23:18 pm Kleber Daum Machado wrote:
Hi,
I'd like to know the explicit mathematical expressions that are represented by the functions debye(temp,thetad) and eins(temp,thetae). Are they given in some documentation file or article?
See "Extended x-ray absorption fine structure Debye-Waller factors. I. Monatomic crystals" E. Sevillano, H. Meuth, J. J. Rehr Phys. Rev. B 20, 4908-4911 (1979) http://link.aps.org/doi/10.1103/PhysRevB.20.4908 B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit