User Tools

Site Tools


exercises:2014_ethz_mmm:md_slab

Differences

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

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Next revisionBoth sides next revision
exercise:md_slab [2014/03/14 09:46] dpasseroneexercise:2014_ethz_mmm:md_slab [2014/10/15 12:40] – exercise:md_slab renamed to exercise:2014_ethz_mmm:md_slab oschuett
Line 4: Line 4:
 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:exercise_4.2.tar.gz|exercise_4.2.tar.gz}}
- +
-**/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.
Line 42: Line 40:
 - 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>
- 
exercises/2014_ethz_mmm/md_slab.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1