Hamiltonian Matrix Elements and Overlap Matrix Elements
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3:15:04 PM PDT - Sat, Aug 9th 2014
Hello all,

I was wondering if there was an easy way to get the Hamiltonian matrix couplings between orbitals calculated by nwchem at the hartree fock level. I suppose this is probably presented at some print output level but I am not entirely sure as I can't find anything too specific. (is there a key word that finds this in the output document so it can be read in and modified by other code ? )

Thanks


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