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exercises:2014_ethz_mmm:md_slab

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exercises:2014_ethz_mmm:md_slab [2014/10/15 12:40]
oschuett exercise:md_slab renamed to exercise:2014_ethz_mmm:md_slab
exercises:2014_ethz_mmm:md_slab [2014/10/15 13:29] (current)
oschuett
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 This exercise deals with heating a gold slab, namely the (100) reconstructed that you already simulated last time. The goal is to plot a density profile in the direction orthogonal to the slab, and to compute (using vmd) the radial distribution function g(r) at various temperatures. This exercise deals with heating a gold slab, namely the (100) reconstructed that you already simulated last time. The goal is to plot a density profile in the direction orthogonal to the slab, and to compute (using vmd) the radial distribution function g(r) at various temperatures.
  
-As usual, create a new directory and download the files from the wiki: {{exercise:exercise_4.2.tar.gz|exercise_4.2.tar.gz}}+As usual, create a new directory and download the files from the wiki: {{exercise_4.2.tar.gz|exercise_4.2.tar.gz}}
  
 First, we simulate the system at 700 K. Using the file 700.inp, we run a NVT simulation using a thermostat. First, we simulate the system at 700 K. Using the file 700.inp, we run a NVT simulation using a thermostat.
exercises/2014_ethz_mmm/md_slab.txt ยท Last modified: 2014/10/15 13:29 by oschuett