exercises:2015_ethz_mmm:md_slab
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exercises:2015_ethz_mmm:md_slab [2015/03/11 14:00] – yakutovich | exercises:2015_ethz_mmm:md_slab [2015/03/19 22:05] – dpasserone | ||
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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. |
Download the 4.2 exercise into your $HOME folder and unzip it: | Download the 4.2 exercise into your $HOME folder and unzip it: | ||
Line 69: | Line 69: | ||
</ | </ | ||
* Try to play with representations: | * Try to play with representations: | ||
- | * Using the " | + | * Using the " |
<note tip> | <note tip> | ||
| | ||
+ | Here how to use the g(r) module: | ||
+ | 1) First apply pbcs (see above) | ||
+ | 2) Open the radial distribution function plugin and enter the parameters as shown (from " | ||
+ | 3) Click " | ||
+ | 4) From the " | ||
</ | </ |
exercises/2015_ethz_mmm/md_slab.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1