From NWChem
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 9
Posts 1509
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| 1:54:50 PM PDT - Mon, Aug 19th 2013 |
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Kenley,
NWChem is outputting the orbitals values, not the charge densities.
To get the density corresponding to the orbitals # 117 you selected (i.e. the squared value of the orbital),
you need to replace "orbitals view" with "orbitals density", e.g.
orbitals density;1;211
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