Output wavefunction to cubefiles

Just Got Here	7:35:54 PM PST - Sat, Mar 7th 2015 Is it possible to print out the values of an orbital's wavefunction to a Gaussian cubefile? I'm aware that you can specify dplot parameters to print out orbital densities, but I'm in need of the phase information which cannot be easily recovered form the density. I'm open to any suggestions, including modifying the source code.

Forum Vet	2:26:51 PM PDT - Mon, Mar 9th 2015 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.

Just Got Here	9:02:05 PM PDT - Mon, Mar 9th 2015 Excellent, thanks! I came across that before but I think I misinterpreted what the "view" keyword is meant for. I'll give it a try.

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