Adaptive time

adaptive_time sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms so that trajectories of atoms can be observed in details and energy conservation can be ensured. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows:

adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax, adapt_emax.

Summary

Summary for adaptive_time keyword

Required/optional	Type	Accepted values	Default	See also	Remarks
Optional	Boolean	.true. or .false.	.false.	adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax, adapt_emax	Required functionality for simulating collision cascades

Example

adaptive_time = .true.
adapt_tstep_interval = 1
adapt_tmin = 1.0E-07  ! in fs
adapt_tmax = 1.0E-01  ! in fs
adapt_xmax = 1.0e-3   ! in angstrom
adapt_emax = 50.0     ! in eV