[Ifeffit] Decision of Enot and model

Carlo Segre segre at iit.edu
Tue Jun 12 10:14:47 CDT 2018

You have the correct intuition.  You don't want the delr to be much more 
than 0.1 A or so.  If this is the case, you can start with the same cif 
and simply change the lattice parameters a small amount to give you a 
starting bond distancve that is closer to where you like to be.


On Tue, 12 Jun 2018, ABDUL AHAD wrote:

> hi all,
> i have some questions to experts.
> if i have cif file to any compound say ZnO and i fitted the exafs data with
> it.
> Now the question is if i wish to fit the doped ZnO with the same cif and
> the same Enot then it shows large value of delta to fit. The question is
> have i look for different Enot or i have to change the cif for the doped
> one. Note i m talking about the main peak fit that only contain the Zn and
> O not the doped element. Is there any limit of delta for bond length? i
> think it should be small.
> Thanks in advance

Carlo U. Segre -- Duchossois Leadership Professor of Physics
Interim Chair, Department of Chemistry
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org

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