kiran boggavarapu wrote:

>Dear Users and Developers
>
>Is it possible to print 'exchange correlation
>potential at nucleus' in a given molecule from ADF.
>
>Any suggestion is well appreciated
>
>regards
>kiran
>
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Dear Users and Developers

I am trying to use Molekel program,which is a program for visualizing
molecules and it is prepared to draw orbitals. But it needs file .t41 of
each molecule that I am calculating. In the web of ADF there is an
example of calculating t41 of NO2, but I haven´t been able to have it
worked properly.
Best wishes,
Albert Poater Teixidor
Institut Químic Computacional (IQC)
albertpo_at_iqc.udg.es
Received on 2002-03-11 11:34:29