exercises:2016_ethz_mmm:surface_au
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exercises:2016_ethz_mmm:surface_au [2016/03/09 22:55] – yakutovich | exercises:2016_ethz_mmm:surface_au [2016/03/11 10:28] – yakutovich | ||
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====== Calculation of surface energies of Au ====== | ====== Calculation of surface energies of Au ====== | ||
- | In this exercise, we will build three small slabs based on the following figures; the cell is an **orthorombic** cell with repetition along z. | + | <note warning> |
+ | TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: | ||
- | {{: | + | you@eulerX ~$ module load courses mmm vmd |
+ | |||
+ | you@eulerX ~$ mmm-init | ||
+ | </ | ||
- | ---- | ||
- | {{: | + | In this exercise, we will build three small slabs based on the following figures; the cell is an **orthorombic** cell with repetition along z. |
- | + | ||
- | ---- | + | |
- | + | ||
- | {{: | + | |
+ | {{ : | ||
Figure out what is (in nearest neighbor units) the length of the three vectors Lx, Ly, Lz for the three high-symmetry surfaces. | Figure out what is (in nearest neighbor units) the length of the three vectors Lx, Ly, Lz for the three high-symmetry surfaces. | ||
exercises/2016_ethz_mmm/surface_au.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1