[Ifeffit] Different Enot for different shells

[Abdul Ahad]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20180530/18855f7d/attachment.html>