Printing of the overlap matrix?

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Posted by Andy Kerridge on March 31, 2008 at 16:37:03:

Hi,

Could anybody tell me if there is an easy way to cause MOLCAS 6.4 to print the overlap matrix for the input basis functions? I am attempting to perform a non-standard population analysis, and require this matrix in order to accurately calculate total atomic contributions to individual natural orbitals.

Thanks,

Andy Kerridge

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