[Wien] How to use non-default local rotation matrix

[Jorissen Kevin]

Hi there,
 
look at some of my old mails on the archive (search Jorissen rotation matrix or so) - should help you.  I've done calculations like that, and they work fine!
 
 
Good luck,
 
Kevin.
 
 
Kevin Jorissen



Kevin Jorissen
University of Washington
Dept. of Physics
Box 351560
Seattle, WA-98195-1560
U.S.A.

phone  +1 206 543 3904
fax      +1 206 685 0635

e-mail kevin.jorissen at ua.ac.be
web page http://fraangelico.phys.washington.edu/~jorissen

________________________________

From: wien-bounces at zeus.theochem.tuwien.ac.at on behalf of kongshi
Sent: Fri 4/14/2006 8:46
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] How to use non-default local rotation matrix



Dear users:

     I'm doing some calculation which I need to construct a rotation matrix manually to study orbital physics. I edited the rotation matrix in case.struct but the result is same as struct file which matrix is not changed. I don't know how to make it work. Please tell me how to do it. Thank you.

 

 

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