Adapt emax

adapt_emax sets the maximum value of energy transfer by an atom in a time-step. When a highly energetic atom comes too close to another atom that it experiences the repulsive core potential which has a steep slope, then there can be a large change in the potential energy by a small displacement. Here, time-step should be small enough to restrict large change in the energy and restriction provided through this input keyword will ensure that. Since with energetic atoms the displacement and energy transfer per time-step can be too large to limit the observation of actual trajectories of the atoms and thus loose details of the atomic collision process that actually undergoes, reasonable values for this parameter must be set. A typical value can be in the range of 10-30 eV.

Summary

Summary for adapt_emax keyword

Required/optional	Type	Accepted values	Default	See also	Remarks
Required	Float	Max. allowed energy transfer per time-step in eV	10.0	adaptive_time, adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax	A reasonable value greater than 0 must be provided.