GW0 in vasp 5.2.2 and 5.3.2
Posted: Fri Sep 28, 2012 12:03 pm
HI there,
I'm using the Vasp 5.2.2 and now i started to use the vasp 5.3.2
I noticed a BIG (0.4 eV) difference for the ZnO band gap when using GW0.
Any ideas where it came from?
The input parameters are the same for both calculations.
I'm using the Vasp 5.2.2 and now i started to use the vasp 5.3.2
I noticed a BIG (0.4 eV) difference for the ZnO band gap when using GW0.
Any ideas where it came from?
The input parameters are the same for both calculations.