obtaining wavefunctions from dplot

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I would to plot the atomic orbitals from DFT for an atom to compare with pseudopotentials.
Therefore I would to have the real value of the radial part, not just the density.

Is it possible to get this from NWchem?


I tried like this

title "C spherical singlet with PBE"
start C-PBE
scratch_dir tmp

basis
 * library aug-cc-pvtz
end

geometry units angstrom
  C   0.0  0.0  0.0
  symmetry oh
end

dft
  tolerances tight
  smear 1d-6
  xc xpbe96 cpbe96
 grid xfine
end

task dft

dplot
  title orbitals
  limitxyz
  0 3 31
  0 0 1
  0 0 1
  orbitals view; 5; 1 2 3 4 5
end

task dplot


(since it is spherical, the occupations should be 2 (1s), 2 (2s), 2/3 (2px), 2/3 (2py), 2/3 (2pz), hence the 5 orbitals)

But the 'dplot' file I get is not what I expect.
There are 4 (not 5), they are all the same, and densities rather than wavefunctions.


Thanks in advance!

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Posts 13
According to the manual, you can only plot one orbital at a time:
http://www.nwchem-sw.org/index.php/Release64:DPLOT#ORBITAL_--_Orbital_sub-space


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