Dear all I am doing calculations using mBJ plus U, but when the calculations complete, I get that energy is not converged. But when I check the SCF file I get a constant value of 0.52341000 for energy convergence and 0.345680000 values for charge convergence. So I don't understand on the logic. please help me that what should I do. Should I continue with these calculations and find the properties or some one will give me some suggestions. Thanks in advance. Regards Azam
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