Difference between revisions of "Eph betafile"
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| Line 17: | Line 17: | ||
| 'NULL' | | 'NULL' | ||
| <code>[[electronic_stopping]]</code>, <code>[[estop_filename]]</code>, <code>[[nonadiabatic_processes]]</code> | | <code>[[electronic_stopping]]</code>, <code>[[estop_filename]]</code>, <code>[[nonadiabatic_processes]]</code> | ||
| − | | A coupling parameter file must be provided when invoking this method in MD simulation. | + | | A coupling parameter file must be provided when invoking this method in MD simulation. Put name of file within quotes. |
|} | |} | ||
Revision as of 13:26, 11 March 2024
eph_betafile takes the name of the file containing the electronic stopping coupling parameter. This file has standard format. In case there are multiple elements in the target material, the data corresponding to each element should be in order the elements are named in the species input keyword.
Summary
| Required/optional | Type | Accepted values | Default | See also | Remarks |
|---|---|---|---|---|---|
| Required | String | Short file names | 'NULL' | electronic_stopping, estop_filename, nonadiabatic_processes
|
A coupling parameter file must be provided when invoking this method in MD simulation. Put name of file within quotes. |
