Dear users, I tried the emol values the following:
As emol=2000, Potential energy=-4.7x10^5 As emol=1000, Potential energy=-4.9x10^5 As emol=100, Potential energy=-5.2x10^5 Generally, when we did the energy minimization: how much potential energy value=? we can say that the energy minimization is good. Thanks in advance -- Ahmet YILDIRIM
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