exercises:2016_ethz_mmm:md_slab
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exercises:2016_ethz_mmm:md_slab [2016/02/03 09:54] – external edit 127.0.0.1 | exercises:2016_ethz_mmm:md_slab [2016/03/17 15:33] – yakutovich | ||
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====== Hot gold ====== | ====== Hot gold ====== | ||
+ | <note warning> | ||
+ | TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: | ||
+ | |||
+ | you@eulerX ~$ module load courses mmm vmd | ||
+ | |||
+ | you@eulerX ~$ mmm-init | ||
+ | </ | ||
Line 6: | Line 13: | ||
Download the 4.2 exercise into your $HOME folder and unzip it: | Download the 4.2 exercise into your $HOME folder and unzip it: | ||
<code bash> | <code bash> | ||
- | you@eulerX ~$ wget http:// | + | you@eulerX ~$ wget http:// |
- | you@eulerX ~$ unzip exercises:2015_ethz_mmm: | + | you@eulerX ~$ unzip exercises:2016_ethz_mmm: |
you@eulerX ~$ cd exercise_4.2 | you@eulerX ~$ cd exercise_4.2 | ||
</ | </ | ||
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<note tip> | <note tip> | ||
+ | Assignments: | ||
- Explain the profile, and use the third column to draw conclusions about the surface structure. | - Explain the profile, and use the third column to draw conclusions about the surface structure. | ||
- Study the source of the script. Understand its behavior. | - Study the source of the script. Understand its behavior. | ||
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* And again analyze these trajectories using the script histo_z: | * And again analyze these trajectories using the script histo_z: | ||
<code bash> | <code bash> | ||
- | you@eulerX exercise_4.2$ | + | you@eulerX exercise_4.2$ histo_z 1100-1-pos.xyz |
- | you@eulerX exercise_4.2$ | + | you@eulerX exercise_4.2$ histo_z 1300-1-pos.xyz |
</ | </ | ||
<note tip> | <note tip> | ||
- | Discuss the differences in the density profile. What do you expect to see in vmd? | + | Assignments: |
+ | - Discuss the differences in the density profile. What do you expect to see in vmd? | ||
</ | </ | ||
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<note tip> | <note tip> | ||
- | | + | Assignments: |
+ | - Discuss radial distribution function for 700, 1100, and 1300 K. | ||
</ | </ | ||
<note important> | <note important> |
exercises/2016_ethz_mmm/md_slab.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1