EOM-CCSD converged to zero excitation energy

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Just Got Here

8:58:48 PM PST - Mon, Jan 6th 2014
Hi Karol, Thank you for your reply. I tried both. In some cases "diis 10" with “eomsol 2" worked but generally it seems "diis 10" with "eomsol 1" is safer, though it is slower. It helps a lot since such convergence problem occurs frequently. Many thanks!