Good question! I'm not familiar with gopenmol,although.

Molekel is a good choice to see the geom and freq.However .it's unavailable
to visualize molecular orbitals (MO) created in ADF2004 and newer 2005 ,for
the output structure has changed from ADF2002 to 2004 while molekel was
designde for ADF2002.

It's said that there still exits a solution; unfortunately, I don't konw.

best regards to all.

On 12/23/05, Yong Wang (鐜嬫案) <wangyong_at_dicp.ac.cn> wrote:
>
> Dear all,
>
> Could anyone kindly tell me how to visualize molecular orbitals (MO) with
> gopenmol? it seems that just geometry can be visualized.
>
> Thanks in advance!
> Best Wishes!
>
> Yours, sincerely
> Yong Wang
> 14:59:03 on 2005-12-23
>
> -----------------------------------------------------------------------------
> BOX:
> Yong Wang
> Ph.D. student of Prof. Keli Han
> Theoretical and Computational Chemistry Center
> State Key Lab. of Molecular Reaction Dynamics
> Dalian Institute of Chemical Physics, the Chinese Academy of Sciences
> Dalian 116023, P. R. China
>
> E-mail&Homepage:
> wangyong_at_dicp.ac.cn
> http://www.beam.dicp.ac.cn/groupmem/personal/ywang/ywang.htm
>
>
> -----------------------------------------------------------------------------
>
>

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