Dear Sir, I saw your few replies but could not find the similar email. Thanks for your detailed reply for my case.
Okay sir I will follow your advice regarding the convergence test. Previously I was focusing on the ENE convergence only. My system has some free parameters and I need to optimize them. My concern now is: Should first I fix the RKmx and k-point for -fc convergence and then do a full structure optimization or vice versa? As the structure is tetragonal and taking time on the i3 system. Regards, Ph.D ScholarM.Shahzad Amin
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