ConvAbsEv

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ConvAbsEv

Section SCF::Convergence
Type float
Default 0.0

Absolute convergence of the sum of the eigenvalues:

$ \varepsilon = \left| \sum_{j=1}^{N_{occ}} \varepsilon_j^{out} - \sum_{j=1}^{N_{occ}} \varepsilon_j^{inp} \right| $

A zero value (the default) means do not use this criterion.

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


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