Hi Bob,
If I use ChemCraft (which is another output visualization program that we
use in our lab), then it shows that the log file has a total of 150
molecular orbitals. I realize this is a very large number of MOs, but it is
a rather large molecule.
I don't know if that helps, but I greatly appreciate your time on this.
All the best,
Marco
On Mon, Oct 4, 2010 at 5:09 PM, Robert Hanson <[email protected]> wrote:
> 491 molecular orbitals read in model 2
> 150 molecular orbitals read in model 156
>
> Not sure what that's all about, but you probably do.
> This is in the Java console. I'm thinking I should have it sent to the
> standard console as well. People need to see this.
>
> Bob
>
>
>
> On Mon, Oct 4, 2010 at 12:19 PM, Marco Zimmer-De Iuliis <
> [email protected]> wrote:
>
>> Hello all,
>>
>> As far as I understand it, Jmol should be able to display molecular
>> orbitals from the output of a GAMESS(US) calculation (.log file).
>>
>> I have tried a number of different calculations (DFT geometry
>> optimizations, energy caluclations, freuqency analysis) and when I open
>> these files in Jmol, the "Molecular Orbitals" part of the menu is greyed
>> out.
>>
>> I also took the examples from the Jmol wiki page and tried those and I get
>> the same thing.
>>
>> How can I visualize molecular obritals? Why is this section greyed out?
>> I am using Jmol 12.0.10.
>>
>> Thanks,
>> Marco
>>
>>
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>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
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> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
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