[CP2K-user] [CP2K:14689] Calculating dipole moments for static dielectric constant calculation. Please help me decide whether and how to use Ewald summation.

[Stns]

Dear Juerg:

Thank you very much for confirming that. 

Your reply makes sense, but I have been using "PERIODIC FALSE" because 
someone advised me that that's the only way to get "traditional" dipole 
moments that can be used with fluctuation formulas for calculating the 
dielectric constant.  When I previously didn't use it, I was getting Berry 
Phase dipole moments that led to dielectric constant values that were many 
orders of magnitude off.  If there are any comments you can make about 
this, I would be grateful.  

It sounds like you are saying that I should use "PERIODIC TRUE."  If you 
have time and see any other changes I should make to be able to use 
fluctuation-type formulas for calculating the dielectric constant and get 
reasonable values, I would welcome any tips.  Many thanks.
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