[CP2K-user] [CP2K:16733] New user
Matthew Ayoola
ayoolaimisi at gmail.com
Thu Mar 17 12:34:17 UTC 2022
Hi,
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:
8
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,
Matthew
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