CP2K Open Source Molecular Dynamics

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exercises:2015_ethz_mmm:surface_au

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exercises:2015_ethz_mmm:surface_au [2015/03/06 18:03] – yakutovichexercises:2015_ethz_mmm:surface_au [2015/03/19 22:18] – yakutovich
Line 71: Line 71:
 you@eulerxx $ bsub cp2k.popt -i 110_rec.inp -o 110_rec.out you@eulerxx $ bsub cp2k.popt -i 110_rec.inp -o 110_rec.out
 </code> </code>
 +<note tip>
 Assignments: Assignments:
  
Line 81: Line 81:
   - Check that the result is the same as in 110_rec.xyz   - Check that the result is the same as in 110_rec.xyz
   - Plot the same slabs, but adding periodic images in vmd: remember pbc set { a b c 90 90 90 }.   - Plot the same slabs, but adding periodic images in vmd: remember pbc set { a b c 90 90 90 }.
- +</note> 
-<note tip>Hint: you can save a configuration file in vmd and reuse it for a new sample! Ask the assistant!</note>+<note important>Hint: you can save a configuration file in vmd and reuse it for a new sample! Ask the assistant!</note>
exercises/2015_ethz_mmm/surface_au.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1