Please help with MP2 TZ Energy calculations

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Forum Regular

12:48:47 PM PST - Thu, Dec 24th 2015
Have you tried using the converged wave function from one of the other two basis sets as the starting guess for the TZ calculation? http://nwchemgit.github.io/index.php/Release66:Hartree-Fock_Theory_for_Molecules#Example_of_...