[CP2K-user] [CP2K:19177] 2D Ewald summation in CP2K

Vyacheslav Bryantsev vyacheslav.bryantsev at gmail.com
Fri Aug 4 18:52:47 UTC 2023

Dear CP2K Developers and Users,

I am writing to check if the 2D Ewald summation is available in CP2K.

This would be a preferred methods for a liquid system with ions (or 
completely ionic melt) that my develop a significant curvature at the 
liquid-vacuum interface. If this happens, the approach to correct for the 
surface dipole using SURFACE_DIPOLE_CORRECTION may break down.  

If 2D Ewald in CP2K is available, any example of the input block for 
running AIMD will be highly appreciated. 

Thank you,

Vyacheslav Bryantsev
Oak Ridge National Laboratory

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