[Pw_forum] Hybrid calculations using PAWs

[Giuseppe Mattioli]

Dear Kai
If I remember well, there has been a first release of the PAW/EXX module which did not work at all. The module has been therefore cut out for a while. 
I do not know if it is now properly working in 5.2.1. However, do not expect significant speed up with USPP/EXX or PAW/EXX. If nothing has been done to 
fix some issues, the NC/EXX implementation, which is in my opinion quite mature and stable, is likely the best choice if you (wisely) use the ecutfock 
and adaptive_thr switches.
HTH
Giuseppe

On Thursday, October 01, 2015 09:19:57 AM Kai Trepte wrote:
> Hi everyone,
> 
> is it possible in QE 5.1.2 to include exact exchange using PAWs?
> I get an error when I try to do so (Error message states that PAW and
> hybrid do not work together), but I get the very same error message when
> starting the calculation with an USPP.
> The error does not occur when I use Version 5.1 and PAWs (on my laptop).
> 
> Thanks in advance
> Kai
> 
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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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