[CP2K-user] [CP2K:12677] Wavelet solver for slab

Thomas Kühne tku... at gmail.com
Sun Dec 29 15:43:44 UTC 2019

Dear Stacey, 

other POISSON solvers within CP2K are, but using Wavelet XZ is indeed the 
only way to make 2D periodic calculations. Please do not ask why, but you 
have to rotate the system by hand to make it XZ periodic. 


> Am 29.12.2019 um 16:30 schrieb MD Simulation <mdsimula... at gmail.com>:
> Hello,
> I have a slab periodic in the XY direction. Can the wavelet solver be used for this situation? The documentation says XZ for the wavelet slab. 
> Thanks
> Stacey 
> -- 
> 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 cp... at googlegroups.com.
> To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/79dcf758-eafd-4c40-9e55-a583e8245471%40googlegroups.com.

Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
tdku... at mail.upb.de

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191229/0f7fd7c7/attachment.htm>

More information about the CP2K-user mailing list