overlap matrix of atomic orbitals

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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5:55:05 PM PDT - Wed, Jul 10th 2013
Hi Alexx,

Do the following in your input file

scf
  print "overlap"
end
task scf


For the kinetic integrals, do print "kinetic"

Best,
-Niri

niri.govind@pnl.gov


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