[CP2K-user] [CP2K:10924] Re: "CPASSERT failed"---kpoint calculations/band structure with hybrid functional PBE0?
Zhendong Guo
zhendon... at gmail.com
Sat Nov 10 06:42:01 UTC 2018
Dear Lina
Please try a smaller EPS_PGF_ORB for instance, 1.0E-50
Best regards
zhendong
On Sat, Nov 10, 2018 at 3:59 AM <wuli... at gmail.com> wrote:
> The cp2k version is 5.1, SVN source code revision svn: 18091
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
>
--
Zhendong Guo
Phone: +41786943316
Email: zhendon... at gmail.com
zhendo... at epfl.ch
-------------------------------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20181110/6d41be38/attachment.htm>
More information about the CP2K-user
mailing list