MCSCF frozen core orbitals convergence

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Posts: 2
Joined: 18 Jul 2014, 03:29
First name(s): tran
Middle name(s): van
Last name(s): tan
Affiliation: PhD
Country: Viet Nam

MCSCF frozen core orbitals convergence

Post by tranvantan » 24 Oct 2014, 10:42

Dear Dalton users,
I am doing some mcscf calculations with .FROZEN CORE ORBITALS but the calculation stops after a few iterations. You can see the input and output in the attachment. I am really appreciated if you could help me to get over it.
Best regards.
Tran Van Tan
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