[Wien] force in WIENNCM

Robert Laskowski rolask at theochem.tuwien.ac.at
Fri Mar 23 10:20:58 CET 2007


forces in WIENNCM are not implemented yet.

regards

Robert

On Thursday 22 March 2007 20:58, Hongjun Xiang wrote:
> Dear wien2k developers,
>  I want know if force is implemented in WIENNCM.
> And if yes, should I use mini to relax the structure using WIENNCM?
> I don't find such information in the manual of WIENNCM.
> 
> Thank you.
> 
> Best regards,
> Hongjun Xiang
> 
> =============================================================
> H. J. Xiang
> Postdoctoral Research Associate
> Department of Chemistry
> North Carolina State University
> Raleigh, NC 27695-8204
> Tel: 001-919-515-8919
> http://www4.ncsu.edu/~hxiang/<http://www4.ncsu.edu/%7Ehxiang/>
> =============================================================
> 

-- 
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


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