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Re^3: Plot orbitals

Alex Granovsky


could you please post your output file?

Kind regards,
Alex Granovsky

On Mon Aug 12 '13 3:44pm, Antonio Carlos Borin wrote
>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

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

>>I'd suggest you to use ChemCraft:


>>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?

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