ConvAbsDens

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ConvAbsDens

Section SCF::Convergence
Type float
Default 0.0

Absolute convergence of the density:

$\varepsilon = \int {\rm d}^3r \left| \rho^{out}(\bf r) -\rho^{inp}(\bf r) \right|$.

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.


Source information

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