CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue
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Forum Vet
11:18:26 AM PDT - Fri, Jun 22nd 2018
Quote:Srhhh
Jun 21st 5:52 pm
The test run in the previous comment actually went to the CCSD iterations part (each iteration takes about 1 hour wall time) but the iterations seem unstable.
Thank you!
Did you use a spherical or cartesian basis?