[Wien] A tiny bug in WIENNCM

[Robert Laskowski]

hi,
you are right, this line should be removed. 

regards

On Friday 25 May 2007, Hongjun Xiang wrote:
> Dear WIENNCM users and developers,
>  I found a bug related to the visualization of magnetism.
> Line 195 of "dataexp.f" in SRC_struct2mol
> qq=qq*180.0d0/pi
> should be deleted.
> I think qq should not be converted into the degree unit before sin and cos
> calculations.
> 
> Thank you.
> 
> Best regards,
> Hongjun Xiang
> 



-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698