[Wien] Export electron density in three dimensions

Florent Boucher Florent.Boucher at cnrs-imn.fr
Fri Mar 18 16:11:36 CET 2005


Dear Tobias,
we already have such a module to write a 3D file. We use IrisExplorer to 
draw the isosurface so I think it will be eazy for you to adapt the 
wriexpl subroutine to your file format.
For the input, you just need to had one line for the third vector and 
define the number of points in the third direction.
Regards


PS : Peter, if you want to include this module in the wien distribution, 
there is no problem.

-- 
 -------------------------------------------------------------------------
| Florent BOUCHER                    |                                    |
| Institut des Matériaux Jean Rouxel | Mailto:Florent.Boucher at cnrs-imn.fr |
| 2, rue de la Houssinière           | Phone: (33) 2 40 37 39 24          |
| BP 32229                           | Fax:   (33) 2 40 37 39 95          |
| 44322 NANTES CEDEX 3 (FRANCE)      | http://www.cnrs-imn.fr             |
 -------------------------------------------------------------------------

-------------- next part --------------
A non-text attachment was scrubbed...
Name: SRC_lapw53D.tar.gz
Type: application/x-gzip
Size: 21400 bytes
Desc: not available
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20050318/3583ef15/SRC_lapw53D.tar.gz


More information about the Wien mailing list