Adapt xmax

adapt_xmax sets the maximum value of displacement of 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. Again, with energetic atoms the displacement 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. A typical value for this parameter can be 0.01 Ang.

Summary

Summary for adapt_xmax keyword

Required/optional	Type	Accepted values	Default	See also	Remarks
Required	Float	Max. allowed displacement per time-step in angstroms	0.01	adaptive_time, adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_emax	A reasonable value greater than 0 must be provided.