Surface dipole correction in new version of CP2K 2.5

Andrei Buin phqu... at gmail.com
Tue Jul 15 18:19:12 UTC 2014


I'm testing the Surface dipole correction  option in the new release (2.5 
and upwards) and i see no difference compared to the original case (no 
Dipole correction). I dont even see the any sort of output related to the 
Surface dipole correction. Energies are the same although i use very large 
vacuum amount. I was wondering, does it have any sort of output or it just 
silently does it job ?

With Best Regards, Andrei Buin.

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