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Date: Wed, 07 Jun 2006 10:02:10 -0400
From: Robert Hinde <rhinde@utk.edu>
Subject: [NWCHEM] printing one-electron integrals in NWChem output
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Organization: Univ. of Tennessee Chemistry Dept.
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Dear NWChem community:

A project of mine requires as input several one-electron overlap, core 
Hamiltonian, and ECP integrals computed using a large uncontracted basis 
set of spherical Gaussians.  I'd like to use NWChem to compute the 
integrals, which will then be read into my own code.  Is there a flag 
that I can set in the NWChem input file to either:

(1) force NWChem to print in its output the one-electron integrals 
computed during a standard RHF or ROHF calculation, or

(2) save these one-electron integrals in a scratch file, so that my code 
can read the integrals from this file?

Thanks much,

Robert Hinde
Univ. of Tennessee
Dept. of Chemistry