Dear users I am running optimization calculation fro a ternary alloy at 25% doping concentration. The lattice constant is 4.87. for -5, 0, 5 values , convergence is not taking place for these values (-5, 0, 5). I have increased and decreased the mixing factor from 0.20 in case.in0 file, also i have increased the enhancing parameter in case.inm file. One more thing I am using only 100 k-points. Anyone please suggest the possible solution.
True regards M. Sajjad
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