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


Section Time-Dependent::Propagation
Type float
Default 1.0e-6

Since the KS propagator is non-linear, each propagation step should be performed self-consistently. In practice, for most purposes this is not necessary, except perhaps in the first iterations. This variable holds the number of propagation steps for which the propagation is done self-consistently.

The self consistency has to be measured against some accuracy threshold. This variable controls the value of that threshold.

Source information