From: Adam T. <a-t...@st...> - 2009-12-22 18:09:12
One of my labmates has a problem with a Gaussian optimization where cclib says that the number of basis functions don't match. I've tracked the problem to NBsUs changing at certain steps. Any idea of why this is happening?
Adam
I guess that the set of non-redundant basis functions depends on the
geometry somehow. I think I've seen this before, but it's a rare
occurence. Is it possible to get ahold of the log file and file a bug?
- Noel
2009/12/22 Adam Tenderholt <a-t...@st...>:
> One of my labmates has a problem with a Gaussian optimization where cclib says that the number of basis functions don't match. I've tracked the problem to NBsUs changing at certain steps. Any idea of why this is happening?
>
> Adam
>
>
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