CCSD iterations does not converge

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Gets Around

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11:12:10 PM PDT - Thu, Jun 6th 2013
"T(0) DIIS level shift : 0.20D+00" indicates you set the level shift for the CCSD amplitude solver properly. I find that CCSD does not always converge with diffuse basis sets. This is due to unfortunate realities of numerical linear algebra. I wish I could give you a better answer than this.

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