Ezpit is a Python-based software for calculating the pair distribution function (PDF) from an input model in XYZ format, This is useful for studying the structure of disordered materials. Currently, It can calculate I(q), S(q), F(q), and G(r) from the model. The software is still under development and will soon include a fit function with atomic displacement.
The current python code for the Easy(EZ) (P)air (D)istribution (F)unction is being cleaned up and will be shared soon. The EZPDF code can calculate S(q), F(q), and G(r) from the experimental I(q) data.
Contributor: Gihan Kwon, Nghia Vo, Ajith Pattammattel, Joshua Lynch - NSLS-II, Brookhaven National Laboratory, NY, US. Hui Zhong – Joint Photon Science Institute (JPSI), Stony Brook University, NY, US.