[CP2K-user] [CP2K:20225] Wavelet poisson solver for non-periodic system with xTB

[bmk]

Dear CP2K users/developers,

I want to simulate a non-periodic system using GFN-xTB. 

>From experience I know that using a wavelet solver works for simulating 
systems with cluster boundary conditions using DFT, and therefor that's 
what I used. The simulation doesn't crash and runs just fine, however, when 
I search through the regtests I can't find an example which combines XTB 
and POISSON_SOLVER WAVELET. 

Is combing XTB with POISSON_SOLVER WAVELET correct and/or the best way to 
do this, or should I change my input and reperform my simulations?

Thanks!

-- 
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+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/4881a306-5833-4709-869c-d9f52a2efe58n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240522/6dbc9e1f/attachment.htm>