ZORA & Memory/Hard Disk Space Problems


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Forum Vet
2:46:16 PM PDT - Mon, Oct 24th 2016
If you add the keyword direct to the dft input section, the code will no longer use the "*aoints*" files

dft
  odft
  mult 3
  xc pbe0
  iterations 100
  convergence lshift 0.75 rabuck 30
  direct
end


http://nwchemgit.github.io/index.php/Release66:Density_Functional_Theory_for_Molecules#DIREC...