CP2K 4.1 vs 6.1 Dispersion

James Dean jrd... at pitt.edu
Wed Aug 29 23:51:34 CEST 2018


Hi,

Have there been any changes in CP2K between versions 4.1 and 6.1 that would 
significantly change the result of the calculation for Grimme's D3 
correction? 

Thank you,
James Dean
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