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6:34:56 AM PDT - Fri, May 31st 2013 |
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Dear NWChem users and developers,
I need to plot the atomic orbitals on a given atom. Is it possible to obtain a cube file of the AO?
I have another question: the dplot functionality does not work with complex eigenvectors, obtained after spin-orbit dft.
How can I fix this problem?
Thanks in advance
Regards
Alessandro Chiesa
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