6:24:27 AM PDT - Thu, Oct 18th 2012 |
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I've tried everything, restarted the calculation from a previous geometry and building a new guess for the vectors. It always ends up converging to the same vectors that fail on the next step. I can't get passed this point. I know I'm supposed to have 13 linear dependencies and that the calculation fails when there are 14, but setting n_dep to 1 doesn't change anything, nor does changing the tolerance. Whatever I do I always get 14 linear dependencies and this message about the the basis mismatch. I also tried to change the geometry a little manually so that the calculation doesn't follow the exact same optimization steps, but it didn't help. This is really bothering me. Is there any workaround?
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