VMD-L Mailing List

From: Rob (spamrefuse_at_yahoo.com)
Date: Sun Sep 26 2010 - 23:36:52 CDT

> Hi Rob,
> I'm finally catching up on a long backlog of emails...
> I'm testing compiles of your plugin on multiple platforms presently.
> Can you send me some example ABINIT files I should be able to load with it?
> (either email, or post them on your web page in the same directory
> as the abinit plugin source code link you sent)
>
> As soon as I get past a few small compilation issues, I could
> then add the code to the VMD CVS tree. Are you agreeable with it
> being open source like the other VMD plugins?
>
> Cheers,
> John Stone

It's in place:

http://skku.homeip.net/lahaye/vmd/

there are the GEO and DEN files of the Silicon unit cell.

GEO has the geometry.

The DEN file has the charge density, but also the geometry is part
of the density header information. Therefore when you load the
charge density, you can use two representations for showing
the atoms (Drawing Method CPK) and the charge density
(Drawing Method Isosurface).

Rob.