Plotting orbitals

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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As stated before, if you do not set the "orbitals keyword" it will do the total density, i.e. all occupied orbitals.

Bert


Quote:Himadride Dec 4th 9:29 pm
Thank you so much for your reply. I can print the orbitals with "ORBITALS; <NO. OF ORBITALS> ; <ORBITAL 1 2 ....>. But I can not visualize them in molden when I generate the cube file through directive "gaussian" and output "mo.cube". Also my system has 900 orbitals. Can you please suggest how can I print all of them without putting like 1 2 3 ...900 in the input and further visualize them. Thanks in advance.


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