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Re^5: Plot orbitals

Alex Granovsky


what is the version of ChemCraft you are using?

I have successfully visualized orbitals from this file
using both ChemCraft 1.7 build 375 and 1.6 build 342

What is the orbital number you are trying to visualize?

Kind regards,
Alex Granovsky

On Mon Aug 12 '13 7:09pm, Antonio Carlos Borin wrote

>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?

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