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exercises:2017_ethz_mmm:surface_cu

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exercises:2017_ethz_mmm:surface_cu [2017/03/17 04:47]
dpasserone
exercises:2017_ethz_mmm:surface_cu [2017/03/17 10:34]
dpasserone
Line 67: Line 67:
   * There will be many output files. Important are:    * There will be many output files. Important are: 
   - the atomistic model **out.atomistic-inside-gnuplot.xyz** which will contain many atoms if you chose a proportionality constant in the file DP which is too large. Unfortunately this file does NOT have a proper structure of an xyz file.    - the atomistic model **out.atomistic-inside-gnuplot.xyz** which will contain many atoms if you chose a proportionality constant in the file DP which is too large. Unfortunately this file does NOT have a proper structure of an xyz file. 
 +  - This can be solved by using a simple m_* function that adds the atomic symbol at the beginning of each line, and adding two lines at the beginning of the resulting file (number of atoms; comment):
 +<code bash>
 +you@eulerX exercise_4.1$ m_addcolumn Au < out.atomistic-inside-gnuplot.xyz > cluster.xyz
 +you@eulerX exercise_4.1$ nano cluster.xyz # Add two lines at the beginning.
 +</​code>​
   - the **out.plot-gnuplot.plt** file. You can open it with gnuplot   - the **out.plot-gnuplot.plt** file. You can open it with gnuplot
 <code bash> <code bash>
exercises/2017_ethz_mmm/surface_cu.txt ยท Last modified: 2017/03/17 14:59 by dpasserone