[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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