Subject: Spin density with Molpro

From: "Frederick R. Bennett" <[email-masked]>
Date: Mon, 23 Sep 96 11:17:26 +0100

Hi,
   does anyone know how to calculate spin density at a given point in space
with the molrpo properties package. I can generally calculate one electron
properties given a density matrix, but not spin density. It should be there,
but it is not documented.

Ciao

Fred

===============================================================================
                    Frederick R. Bennett
                    
 Papernet Address:  Institut Fur anorganische, analytische 
                    und physikalische Chemie                  
                    Freiestrasse 3
                    CH-3000 Bern 9 
                    Switzerland
                    
 Mouthnet Address:  [41] (031) 631 4231

 Faxnet Address     [41] (031) 631 3994
 
 Internet Address:  [email-masked]

===============================================================================