Electronic stopping

electronic_stopping sets the option for doing a radiation cascade simulation where the electronic stopping will be taken into account and electronic energy loss will be calculated. The force equation is modified by a friction-like term which is given as follows: [math]\displaystyle{ \mathbf{F}_I = -\mathbf{\nabla}_IU - S_e\frac{\mathbf{v}_I}{v_I} }[/math].

The electronic stopping powers [math]\displaystyle{ S_e }[/math] are provided through an input data file, see related keyword estop_filename. This is typically invoked while simulating collision cascades of atoms. There are three input keywords for which typically inputs need to be provided if this calculation is invoked. These are as follows:

eel_cut, eel_freq_out, estop_filename, eel_E_prev_time, eel_md_prev_time, eel_md_last_step

Summary

Summary for electronic_stopping keyword

Required/optional	Type	Accepted values	Default	See also	Remarks
Optional	Boolean	.true. or .false.	.false.	eel_groupID, eel_cut, eel_freq_out, estop_filename, eel_E_prev_time, eel_md_prev_time, eel_md_last_step	Required functionality for simulating collision cascades

Example

electronic_stopping = .true.
eel_groupID = all  ! Must mention if it acts for a specific group of atoms; 'all' is default and need not be mentioned.
eel_cut = 1.0      ! in eV
eel_freq_out = 10
estop_filename = 'stopping-data-file'