electron_stop

This keyword is used to apply electron stopping forces to high-energy atoms during a run. This is usually used in radiation damage simulations.

Syntax

This keyword is used as follows:

electron_stop <file>

The first line of the file should have 3 values: * the first is the number of data points to be listed \(N\); * the second is the minimum of the energy range \(E_{\rm min}\); * the third is the maximum of the energy range \(E_{\rm max}\).

The stopping power data listed after this line should have \(N\) lines, each corresponding to one energy, which increases linearly from \(E_{\rm min}\) to \(E_{\rm max}\) with a spacing of \((E_{\rm max} - E_{\rm min})/(N-1)\). For these \(N\) lines, the number of columns is the number of species used by the potential energy model. For a compacted multi-element NEP potential, there should be one column with the stopping power for each active species, in the active atom type order printed at initialization. For other potential models, there should be one column for each species in the order defined in the potential file.

Example

An example is:

electron_stop my_stopping_power.txt