ConvRelDens
ConvRelDens
Section SCF::Convergence
Type float
Default 1e-6
Relative convergence of the density:
$\varepsilon = \frac{1}{N} \mathrm{ConvAbsDens}$.
N is the total number of electrons in the problem. A zero value means do not use this criterion.
If you reduce this value, you should also reduce EigensolverTolerance to a value of roughly 1/10 of ConvRelDens to avoid convergence problems.
If this criterion is used, the SCF loop will only stop once it is
fulfilled for two consecutive iterations.
Source information
scf/criteria_factory.F90 : 110
call parse_variable(namespace, 'ConvRelDens', 1e-6_real64, conv_rel_dens)
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