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Re^4: Plot orbitals

Antonio Carlos Borin


Please, find attached the output file


On Mon Aug 12 '13 6:38pm, Alex Granovsky wrote

>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?

This message contains the 10419 kb attachment
[ T-Ag-1-deaza_tddft_pvtz_firefly.out ] output to test chemcraft

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