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exercises:2014_ethz_mmm:surface_au [2014/03/07 07:53]
dpasserone created
exercises:2014_ethz_mmm:surface_au [2014/10/15 13:28] (current)
oschuett
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 ====== Calculation of surface energies of Au ====== ====== Calculation of surface energies of Au ======
  
-{{ :exercise:screen_shot_2014-03-07_at_8.47.53_am.png?​direct |}}+{{ screen_shot_2014-03-07_at_8.47.53_am.png?​direct |}}
  
 Take the above table as reference for the orders of magnitude of surface energies. ​ Take the above table as reference for the orders of magnitude of surface energies. ​
-You will find in3 **/​cluster/​home03/​matl/​danielep/​LECTURE3** the necessary files for computing the surface energies of all 3 high symmetry faces of gold.+You can download the ** commented ​**  ​inputs by downloading from the wiki: {{exercise_3.2.zip|exercise_3.2.zip}}) ​the necessary files for computing the surface energies of all 3 high symmetry faces of gold.
 In principle all reconstructed phases should be with a lower surface energy, but this EAM potential fails for some of them. In principle all reconstructed phases should be with a lower surface energy, but this EAM potential fails for some of them.
 The input files are: The input files are:
exercises/2014_ethz_mmm/surface_au.1394178817.txt.gz ยท Last modified: 2014/03/07 07:53 by dpasserone