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ConvEigenError

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ConvEigenError

Section SCF::Convergence
Type logical
Default false

If true, the calculation will not be considered converged unless all states have individual errors less than EigensolverTolerance. If ExtraStatesToConverge is set, the calculation will stop when all occupied states plus ExtraStatesToConverge extra states are converged.

If this criterion is used, the SCF loop will only stop once it is fulfilled for two consecutive iterations.

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