problem related to PW91 functional?
Posted: Thu Apr 18, 2013 8:26 pm
Hello, We want to use PW91 functional to do some calculations.
We set GGA = 91 in the INCAR
but the problem turns out to be no proper PAW pseudo potential for PW91 functional.
I just wonder where can I find the corresponding PAW pseudopotential?
We set GGA = 91 in the INCAR
but the problem turns out to be no proper PAW pseudo potential for PW91 functional.
I just wonder where can I find the corresponding PAW pseudopotential?