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Discover Discover Minimization Convergence level:Convergence accuracy level. Discover Nininization ■ Maximum interactions:Maximum number of Method: Conjugate Gradient More... iterations. Convergence level: Medium Maximum iterations: 5000 Optimizer cell:Optimizing cell parameters and 厂Optimia2ecel atomic positions if chosen. Minimize Files..… Help Method (optimization method) Smart Minimizer:Synthetization of the following three methods Discover Iininization Steepest Descent:The calculation is simple and fast, Method: Smart Minimizer More... but the convergence near the minimum is not good Smart Minimizer Convergence level: enough,suitable for the initial stage of optimization Steepest Descent Conjugate Gradient Maximum iterations: Newton Conjugate gradient:Good convergence,but the Optimize cell requirement of initial structure is high.Often used Minimize Files... Help after the steepest descent method. Newton:High computational cost.Converge quickly when derivative is small.Often used in combination with the steepest descent method.Discover Minimization  Method (optimization method) Smart Minimizer: Synthetization of the following three methods Steepest Descent: The calculation is simple and fast, but the convergence near the minimum is not good enough, suitable for the initial stage of optimization Conjugate gradient: Good convergence, but the requirement of initial structure is high. Often used after the steepest descent method. Newton: High computational cost. Converge quickly when derivative is small. Often used in combination with the steepest descent method.  Convergence level: Convergence accuracy level.  Maximum interactions: Maximum number of iterations.  Optimizer cell: Optimizing cell parameters and atomic positions if chosen. Discover
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