Dear users, I am performing calculations on a large system of intercalated graphite. I am using forc_conv_thr = 1.0D-3 etot_conv_thr = 7.0D-4 as convergence criteria.
I was checking the convergence criteria in the literature (graphite, graphene, and other systems) I know that it depends on the system, but generally, I found that for forces they use below 0.05 eV/A, I used (0.02 eV/A), but for the energy they use a bit lower than mine, I am wondering if is it okay? Note: with the convergence criteria I used in comparison with our experimental results, we found very good agreements. Hussam Bouaamlat Sidi Mohamed Ben Abdellah University, Engineering Science Laboratory (LSI) Best regards
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