exercises:2017_ethz_mmm:surface_au
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exercises:2017_ethz_mmm:surface_au [2017/02/22 10:01] – external edit 127.0.0.1 | exercises:2017_ethz_mmm:surface_au [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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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. | ||
- | * Download all the necessary files for computing the surface energies of all 3 high symmetry faces of gold from from the wiki: {{exercise_3.2.zip|exercise_3.2.zip}} (**all inputs are commented**) in your home directory and unzip it: | + | * Download all the necessary files for computing the surface energies of all 3 high symmetry faces of gold from from the wiki: {{e4.2.zip|e4.2.zip}} (**all inputs are commented**) in your home directory and unzip it: |
<code bash> | <code bash> | ||
- | you@eulerX ~$ wget http:// | + | you@eulerX ~$ wget http:// |
- | you@eulerX ~$ unzip exercises:2016_ethz_mmm:exercise_3.2.zip | + | you@eulerX ~$ unzip exercises:2017_ethz_mmm:e4.2.zip |
- | you@eulerX ~$ cd exercise_3.2 | + | you@eulerX ~$ cd exercise_4.2 |
</ | </ | ||
+ | |||
+ | If you cannot download with **wget**, you can copy the zip file directly from my directory | ||
+ | <code bash> | ||
+ | you@eulerX ~$ cp / | ||
+ | you@eulerX ~$ unzip e4.2.zip | ||
+ | you@eulerX ~$ cd exercise_4.2 | ||
+ | </ | ||
+ | |||
+ | |||
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/2017_ethz_mmm/surface_au.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1