[Pw_forum] dexx is negative also with gaupbe
p.giannozzi at gmail.com
Thu Nov 26 18:05:41 CET 2015
What is "your system"?
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?
> Pw_forum mailing list
> Pw_forum at pwscf.org
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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