Can NWChem print Fock Matrix corresponding to an input Density Matrix


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  • Guest -
9:13:41 AM PST - Wed, Nov 23rd 2011
Hi

I would like to know if NWChem can do the following. If I provide the Density Matrix and the atomic coordinates of a molecule, can NWChem print me back the Fock Matrix corresponding to the Density Matrix without performing any SCF cycle.