[CP2K-user] [CP2K:16733] New user

Matthew Ayoola ayoolaimisi at gmail.com
Thu Mar 17 12:34:17 UTC 2022


I am a new cp2k user trying to generate a python code for Silicon bulk with 
64 atoms. I want to use this result on Visual Molecular Dynamics (VMD). 
Please, I will be greatly obliged if someone possibly help with either the 
coordinates of the 64 atoms that I can use on VMD or with the python code 
to run/display the 64 atoms. 

An example of Silicon bulk coordinate with 8 atoms is this:


Si 0.000000000    0.000000000    0.000000000

Si 0.000000000    2.715348700    2.715348700

Si 2.715348700    2.715348700    0.000000000

Si 2.715348700    0.000000000    2.715348700

Si 4.073023100    1.357674400    4.073023100

Si 1.357674400    1.357674400    1.357674400

Si 1.357674400    4.073023100    4.073023100

Si 4.073023100    4.073023100    1.357674400

Thank you so much,


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