RecalculateGSInterval

RecalculateGSInterval

Section Time-Dependent::Propagation
Type integer
Default 50

This variable controls how often the GS is recalculated for RecalculateGSDuringEvolution = yes. It is the number of time-propagation steps between two ground-state recalculations. A smaller value follows the instantaneous Hamiltonian more closely, while a larger value reduces the cost of outputs that need the instantaneous ground-state basis, such as TDOutput = n_excited_el.

 call parse_variable(namespace, 'RecalculateGSInterval', 50, td%recalculate_gs_interval)