How to run a calculation with hybrid functionals using B3PW91?
Posted: Fri Feb 04, 2011 3:06 pm
Hi there, new to vasp and am currently trying to run a calculation of a system with hybrid functional using B3PW91.
Can anyone please enlighten me on how to set up the INCAR file.
Thank you
<span class='smallblacktext'>[ Edited ]</span>
Can anyone please enlighten me on how to set up the INCAR file.
Thank you
<span class='smallblacktext'>[ Edited ]</span>