Eel freq out

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eel_freq_out sets the interval of MD steps at which the electronic energy loss (EEL) data will be written to output file named as 'ElectronicEnergyLoss.txt'. First line in the output will have names of columns and in the following lines there will be five columns of data: time in fs units, EEL in the present MD step in eV units, cumulative EEL till the present MD time in eV units and the kinetic energy and temperature of the atoms in the eel_groupID.

Summary

Summary for eel_freq_out keyword
Required/optional Type Accepted values Default See also Remarks
Optional Integer Positive integer 1 electronic_stopping, eel_cut, estop_filename If EEL at every step is required use 1, otherwise use larger interval if cumulative EEL is sufficient.