A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X


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

Featured in chapters of the manual:

Featured in testfiles