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

kongshi kongshi at hotmail.com
Fri Apr 14 17:46:19 CEST 2006


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.

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060414/05110ffd/attachment.html


More information about the Wien mailing list