Sahar, There is this thing called "google.com<http://google.com>", it has this thing you can type things in, and you type “transition states Quantum Espresso" and you press the "I'm feeling lucky" button, and you'll actually get a the Quantum Espresso homepage that lists two implementations of transition states and minimum energy paths.
On May 14, 2018, at 1:46 PM, sahar mohammadi <[email protected]<mailto:[email protected]>> wrote: 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 _______________________________________________ users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users Will DeBenedetti Cornell University
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
