exercises:2015_ethz_mmm:surface_cu
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| exercises:2015_ethz_mmm:surface_cu [2015/03/06 10:51] – yakutovich | exercises:2015_ethz_mmm:surface_cu [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| <note warning> | <note warning> | ||
| TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: | TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: | ||
| - | you@eulerX ~$ module load courses mmm vmd ; mmm-init | + | |
| + | you@eulerX ~$ module load courses mmm vmd | ||
| + | |||
| + | you@eulerX ~$ mmm-init | ||
| </ | </ | ||
| Line 40: | Line 43: | ||
| ---- | ---- | ||
| * Download all the necessary files from from the wiki: {{exercise_3.1.zip|exercise_3.1.zip}} (**all inputs are commented**) in your home directory and unzip it: | * Download all the necessary files from from the wiki: {{exercise_3.1.zip|exercise_3.1.zip}} (**all inputs are commented**) in your home directory and unzip it: | ||
| - | < | + | < |
| you@eulerX ~$ wget http:// | you@eulerX ~$ wget http:// | ||
| you@eulerX ~$ unzip exercises: | you@eulerX ~$ unzip exercises: | ||
| Line 79: | Line 82: | ||
| * you can rotate with the mouse! | * you can rotate with the mouse! | ||
| - | < | + | < |
| + | Assignment: use the cluster generated with SOWOS as an input configuration for a cluster optimization with cp2k. Comment on the final geometry. BEWARE OF THE CELL! It is not a periodic system! | ||
| + | </ | ||
| <note tip> | <note tip> | ||
exercises/2015_ethz_mmm/surface_cu.1425639106.txt.gz · Last modified: (external edit)
