CP2K Open Source Molecular Dynamics

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exercises:2016_uzh_cmest:faq [2016/12/07 13:14] – [How do I run CP2K in parallel?] scaravatiexercises:2016_uzh_cmest:faq [2016/12/07 13:15] – [How do I build a slab model for a surface?] scaravati
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 The basic usage to obtain a charge density difference is: The basic usage to obtain a charge density difference is:
 <code> <code>
-$PATH/cubecruncher.x -i input.cube -o output.cube -subtract subsystem.cube+$ /users/scaravat/bin/cubecruncher.x -i input.cube -o output.cube -subtract subsystem.cube
 </code> </code>
  
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 Vesta comes preinstalled on ''tcopt3'', provided that you load the proper module. Vesta comes preinstalled on ''tcopt3'', provided that you load the proper module.
 <code> <code>
-module load vesta+$ module load vesta
 </code> </code>
  
exercises/2016_uzh_cmest/faq.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1