What is the effect of truncating the grid representation of the Hamiltonian?
When setting up the input data file initialize.m for a new WavePacket simulation, you have to specify the variables hamilt.truncate.min and hamilt.truncate.max. They serve two purposes: First, all energies that are below or above the range spanned by these numbers will be set to the lower or upper truncation value, respectively. Second, the ranges of the energy axes of several of the (sub-)plots automatically generated by WavePacket will be set to those values. In most practical applications you may be dealing with potential curves/surfaces that are bound from below but not from above. In those cases, you specify hamilt.truncate.min to be just below the minimum of the potential, while you choose hamilt.truncate.max just high enough that the wavefunctions never reach the region where the truncation occurs.
