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exercises:2014_ethz_mmm:md_slab

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exercises:2014_ethz_mmm:md_slab [2014/03/14 09:46]
dpasserone
exercises:2014_ethz_mmm:md_slab [2014/10/15 13:29]
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 copy the files from: +As usual, create a new directory and download ​the files from the wiki{{exercise_4.2.tar.gz|exercise_4.2.tar.gz}}
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-**/​cluster/​home03/​matl/​danielep/​LECTURE4/​EXERCISE_4.2/**+
  
 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.
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 - Using the "​radial distribution function"​ plugin from the extension menu, draw the g(r) of the system. Discuss it for 700, 1100, and 1300 K.  - Using the "​radial distribution function"​ plugin from the extension menu, draw the g(r) of the system. Discuss it for 700, 1100, and 1300 K. 
 </​note>​ </​note>​
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exercises/2014_ethz_mmm/md_slab.txt · Last modified: 2014/10/15 13:29 by oschuett