Re: Using old seward integrals in a calculation


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Posted by Steven Vancoillie on March 26, 2015 at 08:43:42:

In Reply to: Re: Using old seward integrals in a calculation posted by Reece on February 16, 2015 at 16:11:58:

: I believe, and I may be wrong, that the problem is that I am using the Cholesky Keyword and so it is not producing a .OrdInt file, is there anyway to make it read the .ChVec files?

If you run in the same work directory, the cholesky settings should be picked up (in the runfile i guess) and it should work.
Please provide your entire input, workflow, so that we can check it.




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if B is 1s22s22p1, what is Li?

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