ConvAbsDens
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.