CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:2014_ethz_mmm:surface_au

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revisionBoth sides next revision
exercise:surface_au [2014/04/21 15:35] – ibethuneexercise:surface_au [2014/06/09 23:58] – dpasserone
Line 4: Line 4:
  
 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: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