# Open SourceMolecular Dynamics

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exercises:2014_ethz_mmm:surface_au

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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]oschuett Both sides previous revision Previous revision 2014/10/15 13:28 oschuett 2014/10/15 12:43 oschuett exercise:surface_au renamed to exercise:2014_ethz_mmm:surface_au2014/06/09 23:58 dpasserone 2014/04/21 15:35 ibethune 2014/03/07 07:53 dpasserone created Next revision Previous revision 2014/10/15 13:28 oschuett 2014/10/15 12:43 oschuett exercise:surface_au renamed to exercise:2014_ethz_mmm:surface_au2014/06/09 23:58 dpasserone 2014/04/21 15:35 ibethune 2014/03/07 07:53 dpasserone created Line 1: Line 1: ====== 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: