[Wien] Bader surface

[Antoine Villesuzanne]

After conversion to cartesian coordinates, very nice plots of Bader surfaces
can be obtained using Geomview (Unix, freeware, http://www.geomview.org/).
See also A. Martin Pendas et al., J. Phys. Chem. B 102, 6937-6948 (1998).


-----Message d'origine-----
De : Jorissen Kevin [mailto:wien-admin at zeus.theochem.tuwien.ac.at]De la part
de Jorissen Kevin
Envoyé : mardi 5 août 2003 14:11
À : wien at zeus.theochem.tuwien.ac.at
Objet : RE: [Wien] Bader surface


looks quite sophisticated.  Is it ready to handle aim-output?  How should it
be used?

Thank you for your suggestion,

Kevin.

-----Original Message----- 
From: Doug du Boulay [mailto:ddb at r3401.msl.titech.ac.jp] 
Sent: Tue 8/5/2003 6:29 AM 
To: wien at zeus.theochem.tuwien.ac.at 
Cc: 
Subject: Re: [Wien] Bader surface


On Monday 04 August 2003 19:40, Jorissen Kevin wrote:
> of the bader surface and a weight that you need not bother about if  you
> just want the surface. To plot the surface, you may have to convert the
> coordinates to a cartesian system first (that's what I did), but maybe
> XCrysden  can read the case.surf right away?

There is a nice program, rendereps.c in the SRC_aim directory
you could take a look at ...

Doug
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