aoints files problem
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Forum Vet
9:38:16 AM PDT - Mon, Apr 29th 2013
Direct
Please add the direct keyword to the dft input section so that all the integrals are computed on the fly and not *.aoints file is created, e.g.
dft
direct
end
More details at
http://nwchemgit.github.io/index.php/Release61:Density_Functional_Theory_for_Molecules#DIREC...