Dear CP2K community,<div><br /></div><div>Recently I've been working on the CUTOFF and REL_CUTOFF convergence for my relatively big system composed of ca. 600 atoms of bulk solvent. To tackle this, I followed the handy tutorial provided on the CP2K website. You could find the obtained energy values attached as well as the input template. I was wondering which values would be more reasonable to use in the future calculations. Should I go for the 60 and 850 Ry combination that gives the error only in 10^-7 Eh or go even further to 1150 where the error drops down to 10^-8?</div><div><br /></div><div>Your suggestions would be very much appreciated! </div><div><br /></div><div><br /></div><div>Best,</div><div><br /></div><div>Albert<br /><div><br /></div></div>
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