[DFTB-Plus-User] Visualizing periodic systems

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Jul 12 08:22:13 CEST 2010


Dear Mandelle,

> I have created an input to study the molecular dynamics of a supercell
> system.  I try to view the geo_end.xyz file in VMD but cannot seem to
> produce periodic conditions or view the whole supercell area.  Is there a
> method to achieve this?

  Usually, I just repeat the cell along the cell vectors by a self-made
script, and visualize this enlarged cell with molecular visualizers, so
that I can see, what happened on the boundaries of the cell.

  Best regards,

    Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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