[Pw_forum] ZB ZnO vs WZ ZnO at HSE level

[Paolo Giannozzi]

On Thu, 2012-02-23 at 02:26 +0100, giacsport at libero.it wrote:

> For this one I get (!!)
> 
> highest occupied, lowest unoccupied level (ev):    36.4937   31.9513
> (!!!) 

have you tried with conventional DFT first? P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy