QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HIMANI on February 20, 2015, 07:02

Title: structure factor
Post by: HIMANI on February 20, 2015, 07:02

How to calculate structure factor in quantum wise?

Title: Re: structure factor
Post by: zh on February 26, 2015, 02:07

See the tutorial for analysing the radial distribution function of an amorphous structure:
http://quantumwise.com/publications/tutorials/item/845-generating-amorphous-structures

Title: Re: structure factor
Post by: HIMANI on February 27, 2015, 11:38

structure factor vs per distance(Armstrong) plot is what we want.
RDF is different from it.
I have analysed RDF and structure factor plots for various structures and they are quite different from each other.

Title: Re: structure factor
Post by: Anders Blom on February 27, 2015, 12:19

The structure factor analysis is implemented in ATK 2015 which will be released later this spring.