| 1:17:02 PM PDT - Wed, Sep 11th 2013 |
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Dear Hugh,
I missed one important detail, that is the linear dependence exhibited by you input.
Unfortunately, the spin-orbit code is not able to deal with linear dependencies (while the regular DFT code is).
A way to circumvent this problem is to force NWChem to set the number of linear dependencies to zero (however,
by doing so you might have convergence problems). To achieve this, please insert the following line before the task line
set lindep:n_dep 0
Cheers, Edo
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