CP2K Open Source Molecular Dynamics

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exercises:2017_ethz_mmm:bands_1 [2017/05/11 15:19] – dpasseroneexercises:2017_ethz_mmm:bands_1 [2017/05/11 15:25] – [Task 4] dpasserone
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 to create a "nice" image of the primitive cell you can render the output file hfo2.pov with the command to create a "nice" image of the primitive cell you can render the output file hfo2.pov with the command
 +<code>
 povray +W320 +H320 -I./hfo2.pov -Ohfo2 +P +X +A +FJ +C povray +W320 +H320 -I./hfo2.pov -Ohfo2 +P +X +A +FJ +C
 +</code>
 or executing the script or executing the script
-./povray.sc (that will take care of removing files hfo2.jpg and hfo2.inc)+<code> 
 +./povray.sc  
 +</code> 
 +(that will take care of removing files hfo2.jpg and hfo2.inc)
 </note> </note>
  
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 Compute the free electron bandstructure of Si and Cu Compute the free electron bandstructure of Si and Cu
 (Have a look at the scripts included in the exercise directory) (Have a look at the scripts included in the exercise directory)
 +
 +Write the CARTESIAN COORDINATES of the Gamma, X, W points of FCC
 </note> </note>
  
exercises/2017_ethz_mmm/bands_1.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1