Estop filename
estop_filename takes in the name of the text file that contains electronic stopping power data. This file will have energies in eV units and stopping power in eV/Ang units. The data for stopping in the text file should be provided such that it covers the value of energy given in eel_cut. The highest energy in the file must also be greater than possible maximum energy of atoms in the simulation. Energies should be put in increasing order in the first column and the corresponding stopping powers in the 2nd column. If there are multiple elements in the target material, then their stopping powers will follow in 3rd, 4th, 5th, etc. columns. For multiple elements in a target material, the stopping powers of the elements should be arranged in consecutive columns in order as they appear in the species input. The data in the file should follow the format as shown below:
1st line – Any useful information 2nd line – number of rows of data points, N 3rd line – energy unit (eV) and symbols of elements (must be) in order as in input file 4th line onwards – energy and electronic stopping values (eV/Ang) are provided as follows 4th line – E1 (dE/dx)1(element 1) (dE/dx)1(element 2) (dE/dx)1(element 3) .….. 5th line – E2 (dE/dx)2(element 1) (dE/dx)2(element 2) (dE/dx)2(element 3) .….. .. .. .. Nth line – EN (dE/dx)N(element 1) (dE/dx)N(element 2) (dE/dx)N(element 3) .…..
Example
# Electronic stopping data E (eV) vs. dE/dx (eV/Ang) for Si and C 4 E(eV) Si C 1.1000E+00 1.1680E-01 1.95E-01 1.3000E+00 1.2150E-01 2.03E-01 1.4000E+00 1.2610E-01 2.11E-01 1.0000E+07 2.9960E+02 1.43E+02
Summary
| Required/optional | Type | Accepted values | Default | See also | Remarks |
|---|---|---|---|---|---|
| Required | String | 'ShortFileName' | 'NULL' | electronic_stopping, eel_cut, eel_freq_out
|
The electronic stopping power data may be obtained from an ion transport code. Put the name of file within quotes. |