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Re^6: Plot orbitals

Antonio Carlos Borin
ancborin@iq.usp.br


Thank you,

Im also using ChemCraft 1.7 build 375, either 32 or 64 bits.

I tried homo and lumo, for instance.

Vibrations, tddft spectrum and other features work; but I can not plot orbitals.

Best
Antonio

On Mon Aug 12 '13 8:13pm, Alex Granovsky wrote
----------------------------------------------
>Hi,

>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
>----------------------------------------------------
>>Hi,

>>Please, find attached the output file

>>Thanks
>>Antonio

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

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