| 2:26:51 PM PDT - Mon, Mar 9th 2015 |
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Have a look at this paragraph
http://nwchemgit.github.io/index.php/Release65:DPLOT#ORBITAL_--_Orbital_sub-space
This sub-directive specifies the subset of the orbital space for the calculation of the electron density. The density is computed using the occupation numbers from the orbital file modified according to the Spin directive. If the contours of the orbitals are to be plotted Option should be set to view (instead of the implicit default value density). Note, that in this case No_Of_Orbitals should be set to 1 and sub-directive Where is automatically set to grid. Also specification of two orbital files conflicts with the view option. alpha orbitals are always plotted unless Spin is set to beta.
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