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 [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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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> | ||
| | ||
+ | </ | ||
+ | <note important> | ||
+ | Hint: how to use the g( r ) module: | ||
+ | - First apply pbcs (see above) | ||
+ | - Open the radial distribution function plugin and enter the parameters as shown (**note: in the example below we excluded the first 10 frames**) (from " | ||
+ | - Click " | ||
+ | - From the " | ||
+ | |||
+ | {{: | ||
</ | </ |
exercises/2015_ethz_mmm/md_slab.1426082418.txt.gz · Last modified: 2020/08/21 10:14 (external edit)