CP2K Open Source Molecular Dynamics

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exercises:2014_ethz_mmm:md_slab

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exercise:md_slab [2014/03/14 09:45] – dpasseroneexercise:md_slab [2014/04/21 15:36] – ibethune
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 As usual, create a new directory and copy the files from: As usual, create a new directory and copy the files from:
  
-**/cluster/home03/matl/danielep/LECTURE_4/EXERCISE_4.2/**+**/cluster/home03/matl/danielep/LECTURE4/EXERCISE_4.2/** 
 + 
 +or download from the wiki: {{exercise: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.
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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: 2020/08/21 10:15 by 127.0.0.1