[Pw_forum] dexx is negative also with gaupbe

Paolo Giannozzi p.giannozzi at gmail.com
Thu Nov 26 18:05:41 CET 2015


What is "your system"?

P.

On Thu, Nov 26, 2015 at 3:39 PM, Tiana Davide <davide.tiana at epfl.ch> wrote:

> dear qers
>
> Despite I am using gaupbe as hybrid functional thinking it  still give me
> the error:
>
> Error in routine electrons (1):
>      dexx is negative!   Check that exxdiv_treatment is appropriate for
> the system
>
> is there any way to fix this problem and having a hybrid calculation for
> my systems?
> could it be because I am running gamma point calculation?
>
> Cheers
> Davide
>
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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