visualizing geometry from *-pos-1.xyz inside the box in VMD
meghaan... at gmail.com
Tue Oct 25 00:57:29 UTC 2016
Dear CP2K users,
Forgive me for asking several trivial questions. I am still new to CP2K.
Many thanks to several members of this group because of whom I am able to
take baby steps towards learning this powerful program.
I am using VMD to visualize the *-pos-1.xyz file generated by CP2K. How do
I see these geometry changes in *-pos-1.xyz file inside the simulation box.
Is there a keyword that allows to print these coordinates inside the
simulation box for each geometry optimization step. I am doing a
non-periodic computation on a diatomic system using MT poisson solver and
would like to get a feel for the spacing between the system and then cell
Thank you so much for your time and help!
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