Dear WIENNCM users and developers,
<br>
I found a bug related to the visualization of magnetism.
<br>
Line 195 of "dataexp.f" in SRC_struct2mol
<br>
qq=qq*180.0d0/pi
<br>
should be deleted.
<br>
I think qq should not be converted into the degree unit before sin and
cos calculations.
<br>
<br>
Thank you.
<br>
<br>
Best regards,
<br>
Hongjun Xiang
<br clear="all"><br>-- <br>Best regards,<br>Hongjun Xiang<br><br>=============================================================<br> H. J. Xiang<br> Postdoctoral Research Associate<br> Department of Chemistry<br> North Carolina State University
<br> Raleigh, NC 27695-8204<br> Tel: 001-919-515-8919<br> <a href="http://www4.ncsu.edu/~hxiang/">http://www4.ncsu.edu/~hxiang/</a><br>=============================================================