The ABINIT Users Mailing List ( CLOSED )

["BRUNEVAL Fabien 201177" <fabien.bruneval@cea.fr>]

Dear Rob,

VMD is capable of reading the cube file format, which has been developped by 
the Gaussian community.
One year ago, I wrote an additional option in cut3d (option=14) in order to 
output a cube file starting from an abinit _WFK or _DEN.
You can have a try and let me know if it's not working anymore.

Fabien 




-------- Message d'origine--------
De: Rob [mailto:spamrefuse@yahoo.com]
Date: ven. 5/22/2009 2:40
À: abinit
Objet : [abinit-forum] abinit visualization with VMD. Already tried?
 

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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