exercises:2014_ethz_mmm:md_slab
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| exercise:md_slab [2014/03/13 16:17] – dpasserone | exercises:2014_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. | ||
| - | As usual, create a new directory and copy the files from: | + | As usual, create a new directory and download |
| - | + | ||
| - | **/ | + | |
| 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 " | - Using the " | ||
| </ | </ | ||
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exercises/2014_ethz_mmm/md_slab.1394727456.txt.gz · Last modified: 2020/08/21 10:14 (external edit)