overlap matrix of atomic orbitals


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Forum Regular
11:03:57 AM PDT - Thu, Jul 11th 2013
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