Re: A strange limit of 28 iterations in geometry optimization procedure


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Posted by Valera on February 04, 2009 at 16:25:54:

In Reply to: A strange limit of 28 iterations in geometry optimization procedure posted by Evgeniy on February 04, 2009 at 15:56:55:

Well, was it 14-th iteration and now 28-th? :) We don't have any particular settings for code to crash on a certain iteration number, but it might be that the memory was exhausted..



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if B is 1s22s22p1, what is Li?

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