CCL:G: software to visualize Gaussian cube files
- From: Christophe Morell <cmorell{}ujf-grenoble.fr>
- Subject: CCL:G: software to visualize Gaussian cube files
- Date: Wed, 02 Mar 2011 21:05:30 +0100
Sent to CCL by: Christophe Morell [cmorell:-:ujf-grenoble.fr]
Hi Neranjan
I'm using an old version of molekel (4.3) which works fine with
gaussian
cub files.
In my opinion molekel is one of the best software to visualize gaussian
cube and outputs.
You can download the latest version for free at :
http://molekel.cscs.ch/wiki/pmwiki.php/Main/DownloadBinary
best regards,
Christophe Morell
Neranjan Perera neranjan007^^gmail.com a écrit :
Sent to CCL by: "Neranjan Perera" [neranjan007++gmail.com]
Hi all,
I would like to know is there any software that can be used to visualize
gaussian cube files which can show molecular orbitals?
I am using 09 and tried using gopenmol and molden to visualize but it doesn't
work at all. In gopenmol, I created the *.plt file and the *.crd files and tried
to visualize it but when i tried to import the *.plt file , the program crashed.
thanks for the help.
neranjan>
--
Christophe Morell
Directeur des Etudes Formation Continue et Apprentissage
_________________________________________________________
Département Mesures Physiques
IUT 1 – Quai Claude Bernard
38000 Grenoble (France)
tel : 00 (33) 4 76 57 50 27
christophe.morell{=}ujf-grenoble.fr
_________________________________________________________
Commissariat à l’Energie Atomique (CEA)
INAC/SCIB/LAN
17, Rue des Martyrs
38017 GRENOBLE CEDEX
tel : 00 (33) 4 38 78 53 76
christophe.morell{=}cea.fr
_________________________________________________________
“Contrary to what is sometimes supposed, the theoretical chemist is not a
mathematician,
thinking mathematically, but a chemist, thinking chemically.”
C.A. Coulson
http://inac.cea.fr/scib/Phocea/Pisp/visu.php?id=98&uid=christophe.morell