On 8 Sep 2007, at 17:01, William Scott wrote:
> Hi folks:
>
> Is there a simple way (or a standard format) that would enable me
> to display electron density calculated from a QM program and to
> compare it with experimental density?
>
> Thanks.
>
> Bill
>
>
> William G. Scott
>
> contact info: http://chemistry.ucsc.edu/~wgscott
>
CCP4MG can also read Gaussian cube files. Someday the ability to
calculate a map from basis function definition, wave function data,
density matrix, etc. will appear.
Best Wishes,
Stuart McNicholas
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