TDTimeStep

TDTimeStep

Section Time-Dependent::Propagation
Type float

The time-step for the time propagation. For most propagators you want to use the largest value that is possible without the evolution becoming unstable.

The default value is the maximum value that we have found empirically that is stable for the spacing $h$: $dt = 0.0426 - 0.207 h + 0.808 h^2$ (from parabolic fit to Fig. 4 of http://dx.doi.org/10.1021/ct800518j, probably valid for 3D systems only). However, you might need to adjust this value.

 call parse_variable(namespace, 'TDTimeStep', default_dt, td%dt, unit = units_inp%time)