overlap matrix of atomic orbitals

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  • Huub Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Alexx,

with

  scf
print "overlap"
end

the code will print only the non-zero overlap integrals. So indeed you are right in that not all integrals are printed. But the ones that are not printed are smaller than 1.0e-8.

Huub


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