ECCE orbital visualization example output

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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The ecce.out file File:Ecce.nwout included in this thread can be imported into Ecce:

1. In the Ecce Organizer, start a new project

2. In the project, do a File import Calculation from Output File, and upload the ecce.nwout

3. Right click on calculation and open with Viewer

4. Orbitals can be viewed one by one by selecting the orbital and click compute


Bert


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