Hi Abdul: Start with the same Enot. It is possible that different Enot values are appropriate, you always want to start with the simplest model and only modify it if all indications point to it. In my work with perovskites, I have rarely if ever needed to use more than one Enot, particularly with samples at room tempearture. Carlo On Wed, 30 May 2018, Abdul Ahad wrote:

Hi all,

Again i have a question to experts.

Suppose i have bond length information via first shell fitting. And by symmetry of crystal structure i know that higher shell should be double of that bond length .....like lattice parameter that is just double of particular bond length (Metal to metal distance which should double of Metal to oxygen which is observable via first shell). I would like to know that in this case my Enot will be same or different as in first shell or i have to Guess another enot, Then how can i control all these parameters.

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@iit.edu http://phys.iit.edu/~segre segre@debian.org