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Re^2: Plot orbitals

Antonio Carlos Borin
ancborin@iq.usp.br


Thank you Prof. Granovsky.

Im trying with ChemCraft (by the way, I could not locate the lite version).

After opening the firefly output file, I choose: tool -> orbitals -> render molecular orbitals.

When I select the orbital to plot, the error message is: acess violation at address..

Its a single point tddft calcuation, with pseudo-potential.

Any hint?
Thank you very much
Antonio.

On Mon Aug 12 '13 3:59am, Alex Granovsky wrote
----------------------------------------------
>Dear Antonio,

>I'd suggest you to use ChemCraft:

>http://www.chemcraftprog.com/http://www.chemcraftprog.com/

>You can use it's lite version (free) or a trial version of standard ChemCraft (free trial for 150 days).

>Kind regards,
>Alex Granovsky
>
>
>
>On Sat Aug 10 '13 6:13pm, Antonio Carlos Borin wrote
>----------------------------------------------------
>>Dear users, is it possible to use gabedit to plot orbitals? Is it necessary to include any special keyword in the input file?

>>Can you help?
>>Best
>>Antonio


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