Dear all,

 

I am doing a Car-Parinello MD simulation, and I want to generate an EXAFS spectrum using the MD trajectory data. I am not familiar with the realm of XAS data analysis software. I need to know what software to use (FEFF, IFEFFIT, etc, what is the difference?) and is there some interface that helps me to build input files easily (I am having very little time)? and some other plotting commands that can produce nice plots?

 

any help is appreciated

 

Sincerely,

Mustafa