[molpro-user] what is micro-iteration?

Luck luck lookforluke at yahoo.com
Thu Feb 7 19:16:58 GMT 2013


Hi:

I wonder what is the micro iteration and what is the difference between it and regular iteration. I am running a mrci-f12/vdz-f12 job and it ends with an error message saying: 

"?micro iteration not converged
 ? The problem occurs in cif12solve"

Can anyone give me a brief introduction? Or a link with proper reference is also highly appreciated.

Thank you.

Guizhen
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