| 11:27:40 AM PST - Tue, Feb 9th 2016 |
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Most likely the number of linearly dependent vectors is changing from one step to the next as the geometry changes. Essentially this means that the size of your basis set changes from one step to the next, so the code disregards the old vectors and starts the SCF for the current step from scratch. You can just leave it alone and it will continue on just fine, albeit a little slower since it is starting from scratch rather than using the previous step as a guess for the current step. Alternatively you can add
set lindep:n_dep n
to your input, where n is an integer that forces the code to always consider n vectors as linearly dependent. With this setting, the code will always be able to use the previous set of vectors as a guess for the current step since you have fixed the size of the basis. You just need to be cautious of numerical stability problems if you set n too small and include vectors that are (nearly) linearly dependent in your SCF calculation.
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