[QE-users] calculation reaction pathways for carbon monoxide oxidation

[sahar mohammadi]

Hello Dear QE developers and users

I'm using quantum espresso for carbon monoxide adsorption and oxidation
I have done my calculations using relaxation of carbon monoxide over an
oxidized material. I have calculated the adsorption energy but how I can
calculate transition states and reaction path way?

Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180514/8e87a884/attachment.html>