User Tools

Site Tools


exercises:2015_ethz_mmm:surface_cu

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
exercises:2015_ethz_mmm:surface_cu [2015/03/06 10:51]
yakutovich
exercises:2015_ethz_mmm:surface_cu [2015/03/19 22:17] (current)
yakutovich [Surface energies of Copper high-symmetry surfaces]
Line 4: Line 4:
 <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
 </​note>​ </​note>​
  
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:
-<​code>​+<​code ​bash>
 you@eulerX ~$ wget http://​www.cp2k.org/​_media/​exercises:​2015_ethz_mmm:​exercise_3.1.zip you@eulerX ~$ wget http://​www.cp2k.org/​_media/​exercises:​2015_ethz_mmm:​exercise_3.1.zip
 you@eulerX ~$ unzip exercises:​2015_ethz_mmm:​exercise_3.1.zip you@eulerX ~$ unzip exercises:​2015_ethz_mmm:​exercise_3.1.zip
Line 79: Line 82:
   * you can rotate with the mouse!   * you can rotate with the mouse!
  
-<​note ​important>**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>​+<​note ​tip> 
 +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>​
  
  
 <note tip>​documentation on **SOWOS** can be found at [[http://​www.danielescopece84.altervista.org/​sowos.html|the web site of Daniele Scopece]]</​note>​ <note tip>​documentation on **SOWOS** can be found at [[http://​www.danielescopece84.altervista.org/​sowos.html|the web site of Daniele Scopece]]</​note>​
exercises/2015_ethz_mmm/surface_cu.1425639106.txt.gz · Last modified: 2015/03/06 10:51 by yakutovich