exercises:2014_ethz_mmm:surface_au
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exercise:2014_ethz_mmm:surface_au [2014/10/15 12:43] – exercise:surface_au renamed to exercise:2014_ethz_mmm:surface_au oschuett | exercise:2014_ethz_mmm:surface_au [2014/10/15 13:28] – 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? | + | {{ screen_shot_2014-03-07_at_8.47.53_am.png? |
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 can download the ** commented ** inputs by downloading from the wiki: {{exercise:exercise_3.2.zip|exercise_3.2.zip}}) 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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1