Dear All,
I'm trying to calculate self diffusion coefficent from velocity auto-correlation (VAC) functions using Green-Kubo relation in figure I attached to the mail. I couldn’t solve how to integrate the velocity auto-correlation (VAC) functions to get Diffusion coefficient. Could you please give me some information about this issue ? Could you suggest some software to integrate the VAC function ?
Thanks in advance for your helps.
Best regards,
Received on Wed May 20 2009 - 13:13:09 PDT
