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[abinit-forum] abinit visualization with VMD. Already tried?


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  • From: Rob <spamrefuse@yahoo.com>
  • To: abinit <forum@abinit.org>
  • Subject: [abinit-forum] abinit visualization with VMD. Already tried?
  • Date: Thu, 21 May 2009 17:40:16 -0700 (PDT)
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Hi,

I have been using VMD (http://www.ks.uiuc.edu/Research/vmd/)
for visualization of another DFT package and I wonder if VMD also
has been used for visualizing ABINIT input and output data.

Searching internet gave me no positive results on this topic.

I see here a few options:

1)
Use cut3d, to generate an output format that can be handled
by VMD; this might need a few extra steps in "data-massage"
in order to make data ready to read in VMD.

2)
VMD is rather flexible in including plugins that do the automatic
translation from alien formats to what VMD can handle.
Writing such a plugin is not too complicated.

The most efficient option is 2), because it will allow VMD to read
directly the output files as produced by ABINIT.

But before I go for this, I'd like to find out first if somebody in the
abinit community has tried this already.

Thanks,
Rob.






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