[Pw_forum] HSE screening parameter

[hannu.komsa at epfl.ch]

As discussed just about a week ago, the HSE version implemented in QE  
is HSE06:
http://www.democritos.it/pipermail/pw_forum/2011-May/020690.html

For changing the screening parameter, there is an input parameter  
called 'screening_parameter' in system (default=0.106). For changing  
the fraction of the exact exchange, use 'exx_fraction' also in system  
(default=0.25). I guess these are not documented anywhere in the  
official distribution...


Best regards,
   Hannu-Pekka Komsa
   EPFL, Switzerland


> Dear all
>
> I would like to ask is it possible for user to change the screening
> parameters in HSE method.
>
> The version I used is 4.2. currently, I noticed the screening parameter
> is 0.106, that would corresponding to the HSE03 (if I'm correct).
> I want to use HSE06, so, can I change this parameter to 0.11? If yes,
> could some tell me how to set it? I can't find the one control the
> screening parameter.
>
> Thank you
>
> regards
> Maofeng