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exercises:2014_ethz_mmm:surface_au [2014/04/21 15:35]
ibethune
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 in **/​cluster/​home03/​matl/​danielep/​LECTURE3** (or downloaded ​from the wiki: {{exercise:exercise_3.2.tar.gz|exercise_3.2.tar.gz}}) 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.1398094534.txt.gz ยท Last modified: 2014/04/21 15:35 by ibethune