Re: THRESHOLD in SEWARD


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Posted by Roland Lindh on September 04, 2014 at 16:13:10:

In Reply to: THRESHOLD in SEWARD posted by Jesus Gonzalez Vazquez on September 03, 2014 at 12:27:54:

Hi,
this is a poor example since it is atomic. The integrals are written to the disk in blocks. In this atomic case the number of integrals does not exceed a singel block and reducing the number of nonzero integrals will not reduce the number of blocks in the disk. Try a larger molecular system to see the effect.


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if B is 1s22s22p1, what is Li?

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